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-(2,4,6-trimethylphenyl)acetamide

Catalog ID
STK066723
SMILES Clc1ccc(cc1)n1c(SCC(=O)Nc2c(C)cc(cc2C)C)nc2c(c1=O)c1CCCCc1s2

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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/c1-15-12-16(2)24(17(3)13-15)29-22(32)14-34-27-30-25-23(20-6-4-5-7-21(20)35-25)26(33)31(27)19-10-8-18(28)9-11-19/h8-13H,4-7,14H2,1-3H3,(H,29,32)
InChIKey
ZSRDELUTMUXWMI-UHFFFAOYSA-N
Synonyms
499102-89-5
2((3(4chlorophenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N(246trimethylphenyl)acetamide
2((3(4chlorophenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)Nmesitylacetamide
2((3(4chlorophenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N(246trimethylphenyl)acetamide
499102895
CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)Cl)C
Clc1ccc(cc1)n1c(SCC(=O)Nc2c(C)cc(cc2C)C)nc2c(c1=O)c1CCCCc1s2
InChI=1SC27H26ClN3O2S2c1151216(2)24(17(3)1315)2922(32)143427302523(20645721(20)3525)26(33)31(27)1910818(28)91119h813H4714H213H3(H2932)
MFCD03223933
STK066723
ZINC000001797432
ZINC01797432
ZINC1797432

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.