Vitas-M small molecule compound

ethyl 2-({[2-(2,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Catalog ID
STK419129
SMILES CCOC(=O)c1c(sc2c1CCCCCC2)NC(=O)c1cc(nc2c1cccc2)c1ccc(cc1C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C31H32N2O3S MW 512.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O3S/c1-4-36-31(35)28-23-12-7-5-6-8-14-27(23)37-30(28)33-29(34)24-18-26(21-16-15-19(2)17-20(21)3)32-25-13-10-9-11-22(24)25/h9-11,13,15-18H,4-8,12,14H2,1-3H3,(H,33,34)
InChIKey
HFDBXXKAQRCVRG-UHFFFAOYSA-N
Synonyms
352687-94-6
352687946
CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=C(C=C(C=C5)C)C
ethyl2(((2(24dimethylphenyl)quinolin4yl)carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ethyl2((2(24dimethylphenyl)quinoline4carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC31H32N2O3Sc143631(35)28231275681427(23)3730(28)3329(34)241826(21161519(2)1720(21)3)3225131091122(24)25h911131518H481214H213H3(H3334)
MFCD01357659
ZINC000002083763
ZINC02083763
ZINC2083763

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Available files

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