Vitas-M small molecule compound
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-tert-butyl-3-(2-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK531795
SMILES Brc1ccc(cc1)C(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1C)CCC(C3)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/c1-17-7-5-6-8-22(17)32-27(34)25-21-14-11-19(29(2,3)4)15-24(21)36-26(25)31-28(32)35-16-23(33)18-9-12-20(30)13-10-18/h5-10,12-13,19H,11,14-16H2,1-4H3InChIKey
NTLSJGLEACPNEN-UHFFFAOYSA-NSynonyms
2((2(4bromophenyl)2oxoethyl)sulfanyl)7tertbutyl3(2methylphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2((2(4bromophenyl)2oxoethyl)thio)7(tertbutyl)3(otolyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
2(2(4bromophenyl)2oxoethyl)sulfanyl7tertbutyl3(2methylphenyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
CC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC(=O)C4=CC=C(C=C4)Br)SC5=C3CCC(C5)C(C)(C)C
InChI=1SC29H29BrN2O2S2c117756822(17)3227(34)2521141119(29(23)4)1524(21)3626(25)3128(32)351623(33)1891220(30)131018h510121319H111416H214H3
MFCD02993467
ZINC000001836251
ZINC000001836252
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