Vitas-M small molecule compound
4-{4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-5-methylthiophen-2-yl}-2-methyl-5-oxo-N-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STK687607
SMILES O=C1CCCC2=C1C(c1cc(c(s1)C)CSc1nc3c(s1)cccc3)C(=C(N2)C)C(=O)Nc1ccccc1
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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 C30H27N3O2S3 MW 557.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N3O2S3/c1-17-26(29(35)32-20-9-4-3-5-10-20)28(27-22(31-17)12-8-13-23(27)34)25-15-19(18(2)37-25)16-36-30-33-21-11-6-7-14-24(21)38-30/h3-7,9-11,14-15,28,31H,8,12-13,16H2,1-2H3,(H,32,35)InChIKey
JHINIGKCBTXXLQ-UHFFFAOYSA-NSynonyms
4(4((13benzothiazol2ylsulfanyl)methyl)5methylthiophen2yl)2methyl5oxoNphenyl145678hexahydroquinoline3carboxamide
4(4(13benzothiazol2ylsulfanylmethyl)5methylthiophen2yl)2methyl5oxoNphenyl4678tetrahydro1Hquinoline3carboxamide
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(S3)C)CSC4=NC5=CC=CC=C5S4)C(=O)NC6=CC=CC=C6
InChI=1SC30H27N3O2S3c11726(29(35)322094351020)28(2722(3117)1281323(27)34)251519(18(2)3725)163630332111671424(21)3830h3791114152831H8121316H212H3(H3235)
MFCD06619322
ZINC000098008404
ZINC000098008405
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