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-methylphenyl)acetamide

Catalog ID
STK003059
SMILES O=C(Nc1ccc(cc1)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 C25H22ClN3O2S2 MW 496.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN3O2S2/c1-15-6-10-17(11-7-15)27-21(30)14-32-25-28-23-22(19-4-2-3-5-20(19)33-23)24(31)29(25)18-12-8-16(26)9-13-18/h6-13H,2-5,14H2,1H3,(H,27,30)
InChIKey
CFOVTDDMXXHHCJ-UHFFFAOYSA-N
Synonyms
353460-96-5
2((3(4chlorophenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N(4methylphenyl)acetamide
2((3(4chlorophenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(ptolyl)acetamide
2((3(4chlorophenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N(4methylphenyl)acetamide
353460965
CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)Cl
InChI=1SC25H22ClN3O2S2c11561017(11715)2721(30)143225282322(19423520(19)3323)24(31)29(25)1812816(26)91318h613H2514H21H3(H2730)
MFCD01850703
O=C(Nc1ccc(cc1)C)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCCC3
STK003059
ZINC000001801000
ZINC01801000
ZINC1801000

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Available files

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