Vitas-M small molecule compound

2-{[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide

Catalog ID
STK554713
SMILES O=C(Nc1ccc(cc1)C(C)C)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCCC3

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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 C27H26ClN3O2S2 MW 524.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN3O2S2/c1-16(2)17-7-11-19(12-8-17)29-23(32)15-34-27-30-25-24(21-5-3-4-6-22(21)35-25)26(33)31(27)20-13-9-18(28)10-14-20/h7-14,16H,3-6,15H2,1-2H3,(H,29,32)
InChIKey
QESDLZLNVRNWSH-UHFFFAOYSA-N
Synonyms
840477-75-0
2((3(4chlorophenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N(4(propan2yl)phenyl)acetamide
2((3(4chlorophenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(4isopropylphenyl)acetamide
2((3(4chlorophenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N(4propan2ylphenyl)acetamide
840477750
CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)Cl
InChI=1SC27H26ClN3O2S2c116(2)1771119(12817)2923(32)153427302524(21534622(21)3525)26(33)31(27)2013918(28)101420h71416H3615H212H3(H2932)
MFCD03223942
ZINC000002263258
ZINC02263258
ZINC2263258

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Available files

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