Vitas-M small molecule compound
7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK525240
SMILES Cc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)Cl)nc2c(c1=O)c1CCC(Cc1s2)C(C)(C)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 C29H29ClN2O2S2 MW 537.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29ClN2O2S2/c1-17-5-12-21(13-6-17)32-27(34)25-22-14-9-19(29(2,3)4)15-24(22)36-26(25)31-28(32)35-16-23(33)18-7-10-20(30)11-8-18/h5-8,10-13,19H,9,14-16H2,1-4H3InChIKey
OZIHFSRJORRQIZ-UHFFFAOYSA-NSynonyms
372082-00-3372082003
7(tertbutyl)2((2(4chlorophenyl)2oxoethyl)thio)3(ptolyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
7tertbutyl2((2(4chlorophenyl)2oxoethyl)sulfanyl)3(4methylphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
7tertbutyl2(2(4chlorophenyl)2oxoethyl)sulfanyl3(4methylphenyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)C4=CC=C(C=C4)Cl)SC5=C3CCC(C5)C(C)(C)C
InChI=1SC29H29ClN2O2S2c11751221(13617)3227(34)252214919(29(23)4)1524(22)3626(25)3128(32)351623(33)1871020(30)11818h58101319H91416H214H3
MFCD01875933
ZINC000002271417
ZINC000002271418
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