Building Blocks

Cas#: 17026-42-5        Compound CID:  1550213

Formula:  C₁₈H₁₄O₈        Molecular Weight: 358.3

IUPAC Name: (2S,3S)-2,3-dibenzoyloxybutanedioic acid

SMILES: C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O

InChIKey: YONLFQNRGZXBBF-KBPBESRZSA-N

InChI: InChI=1S/C18H14O8/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h1-10,13-14H,(H,19,20)(H,21,22)/t13-,14-/m0/s1

Cas#: 163061-73-2        Compound CID:  6931154

Formula:  C₉H₁₁NO        Molecular Weight: 149.19

IUPAC Name: (1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol

SMILES: C1C(C(C2=CC=CC=C21)N)O

InChIKey: LOPKSXMQWBYUOI-RKDXNWHRSA-N

InChI: InChI=1S/C9H11NO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,8-9,11H,5,10H2/t8-,9-/m1/s1

Cas#: 108998-83-0        Compound CID:  7000031

Formula:  C₂₀H₁₈O₂        Molecular Weight: 290.36

IUPAC Name: (2S)-1,1,2-triphenylethane-1,2-diol

SMILES: C1=CC=C(C=C1)C(C(C2=CC=CC=C2)(C3=CC=CC=C3)O)O

InChIKey: GWVWUZJOQHWMFB-IBGZPJMESA-N

InChI: InChI=1S/C20H18O2/c21-19(16-10-4-1-5-11-16)20(22,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19,21-22H/t19-/m0/s1

Cas#: 10420-89-0        Compound CID:  66325

Formula:  C₁₂H₁₃N        Molecular Weight: 171.24

IUPAC Name: (1S)-1-naphthalen-1-ylethanamine

SMILES: CC(C1=CC=CC2=CC=CC=C21)N

InChIKey: RTCUCQWIICFPOD-VIFPVBQESA-N

InChI: InChI=1S/C12H13N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,13H2,1H3/t9-/m0/s1

Cas#: 737001-04-6        Compound CID:  7018252

Formula:  C₁₀H₁₁NS        Molecular Weight: 177.27

IUPAC Name: [(1S)-1-isothiocyanatopropyl]benzene

SMILES: CCC(C1=CC=CC=C1)N=C=S

InChIKey: KLNMIWGOGGBFNV-JTQLQIEISA-N

InChI: InChI=1S/C10H11NS/c1-2-10(11-8-12)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3/t10-/m0/s1

Cas#: 478-08-0        Compound CID:  10163

Formula:  C₁₅H₁₀O₅        Molecular Weight: 270.24

IUPAC Name: 1,3-dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione

SMILES: C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)CO)O

InChIKey: AMIDUPFSOUCLQB-UHFFFAOYSA-N

InChI: InChI=1S/C15H10O5/c16-6-10-11(17)5-9-12(15(10)20)14(19)8-4-2-1-3-7(8)13(9)18/h1-5,16-17,20H,6H2

Cas#: 857402-23-4        Compound CID:  11534420

Formula:  C₃₁H₄₅N₃O₈        Molecular Weight: 587.7

IUPAC Name: [(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13,20,22-trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-9-yl] carbamate

SMILES: CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=C(C(=C2O)C1)NCC=C)O)C)OC)OC(=O)N)C)C)O)OC

InChIKey: OAKGNIRUXAZDQF-TXHRRWQRSA-N

InChI: InChI=1S/C31H45N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,35-37H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1

Cas#: 13860-66-7        Compound CID:  66970987

Formula:  C₁₃H₁₉Cl₂N₃OS        Molecular Weight: 336.28

IUPAC Name: 2-[3-[(2-amino-6-methylpyridin-3-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride

SMILES: CC1=NC(=C(C=C1)C[N+]2=CSC(=C2C)CCO)N.Cl.[Cl-]

InChIKey: ZLGKCAQWOASSTP-UHFFFAOYSA-M

InChI: InChI=1S/C13H18N3OS.2ClH/c1-9-3-4-11(13(14)15-9)7-16-8-18-12(5-6-17)10(16)2;;/h3-4,8,17H,5-7H2,1-2H3,(H2,14,15);2*1H/q+1;;/p-1

Cas#: 37112-31-5        Compound CID:  699486

Formula:  C₆H₆O₃        Molecular Weight: 126.11

IUPAC Name: (1S,5R)-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one

SMILES: C1C2C=CC(=O)C(O1)O2

InChIKey: HITOXZPZGPXYHY-UJURSFKZSA-N

InChI: InChI=1S/C6H6O3/c7-5-2-1-4-3-8-6(5)9-4/h1-2,4,6H,3H2/t4-,6+/m0/s1

Cas#: 193001-14-8        Compound CID:  16759369

Formula:  C₂₂H₁₈FN₃O₂        Molecular Weight: 375.4

IUPAC Name: 4-fluoro-2-methyl-5-[(7-phenylmethoxyquinazolin-4-yl)amino]phenol

SMILES: CC1=CC(=C(C=C1O)NC2=NC=NC3=C2C=CC(=C3)OCC4=CC=CC=C4)F

InChIKey: NVBNDZZLJRYRPD-UHFFFAOYSA-N

InChI: InChI=1S/C22H18FN3O2/c1-14-9-18(23)20(11-21(14)27)26-22-17-8-7-16(10-19(17)24-13-25-22)28-12-15-5-3-2-4-6-15/h2-11,13,27H,12H2,1H3,(H,24,25,26)

Cas#: 135704-54-0        Compound CID:  15026087

Formula:  C₁₂H₄N₄S₆        Molecular Weight: 396.55

IUPAC Name: 4,8-bis(1,3-dithiol-2-ylidene)-[1,2,5]thiadiazolo[3,4-f][2,1,3]benzothiadiazole

SMILES: C1=CSC(=C2C3=NSN=C3C(=C4SC=CS4)C5=NSN=C25)S1

InChIKey: ABMLGFPCLXTCEI-UHFFFAOYSA-N

InChI: InChI=1S/C12H4N4S6/c1-2-18-11(17-1)5-7-9(15-21-13-7)6(12-19-3-4-20-12)10-8(5)14-22-16-10/h1-4H