Vitas-M small molecule compound
N-[4-(benzyloxy)phenyl]-2-{[3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL411197
SMILES O=C(Nc1ccc(cc1)OCc1ccccc1)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Br)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 C31H26BrN3O3S2 MW 632.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26BrN3O3S2/c32-21-10-14-23(15-11-21)35-30(37)28-25-8-4-5-9-26(25)40-29(28)34-31(35)39-19-27(36)33-22-12-16-24(17-13-22)38-18-20-6-2-1-3-7-20/h1-3,6-7,10-17H,4-5,8-9,18-19H2,(H,33,36)InChIKey
REEQFJIBUNYPKR-UHFFFAOYSA-NSynonyms
476484-13-62((3(4bromophenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N(4phenylmethoxyphenyl)acetamide
476484136
C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)Br)SCC(=O)NC5=CC=C(C=C5)OCC6=CC=CC=C6
InChI=1SC31H26BrN3O3S2c3221101423(151121)3530(37)2825845926(25)4029(28)3431(35)391927(36)3322121624(171322)3818206213720h13671017H45891819H2(H3336)
MFCD03223120
N(4(benzyloxy)phenyl)2((3(4bromophenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(4(benzyloxy)phenyl)2((3(4bromophenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamide
ZINC000150408131
ZINC150408131
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