Vitas-M small molecule compound
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-tert-butyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK548029
SMILES Cc1cccc(c1)n1c(SCC(=O)c2ccc(cc2)Br)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 C29H29BrN2O2S2 MW 581.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29BrN2O2S2/c1-17-6-5-7-21(14-17)32-27(34)25-22-13-10-19(29(2,3)4)15-24(22)36-26(25)31-28(32)35-16-23(33)18-8-11-20(30)12-9-18/h5-9,11-12,14,19H,10,13,15-16H2,1-4H3InChIKey
BWFDRTQTMHBWHL-UHFFFAOYSA-NSynonyms
2((2(4bromophenyl)2oxoethyl)sulfanyl)7tertbutyl3(3methylphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2((2(4bromophenyl)2oxoethyl)thio)7(tertbutyl)3(mtolyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
2(2(4bromophenyl)2oxoethyl)sulfanyl7tertbutyl3(3methylphenyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC(=O)C4=CC=C(C=C4)Br)SC5=C3CCC(C5)C(C)(C)C
InChI=1SC29H29BrN2O2S2c11765721(1417)3227(34)2522131019(29(23)4)1524(22)3626(25)3128(32)351623(33)1881120(30)12918h5911121419H10131516H214H3
MFCD03286961
ZINC000001869248
ZINC000001869249
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