Vitas-M small molecule compound
N-[4-(benzyloxy)phenyl]-2-{[3-(furan-2-ylmethyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL055573
SMILES O=C(Nc1ccc(cc1)OCc1ccccc1)CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)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 C30H27N3O4S2 MW 557.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N3O4S2/c34-26(31-21-12-14-22(15-13-21)37-18-20-7-2-1-3-8-20)19-38-30-32-28-27(24-10-4-5-11-25(24)39-28)29(35)33(30)17-23-9-6-16-36-23/h1-3,6-9,12-16H,4-5,10-11,17-19H2,(H,31,34)InChIKey
KCMLEAGUMOPBRN-UHFFFAOYSA-NSynonyms
2((3(furan2ylmethyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N(4phenylmethoxyphenyl)acetamide
C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)CC4=CC=CO4)SCC(=O)NC5=CC=C(C=C5)OCC6=CC=CC=C6
InChI=1SC30H27N3O4S2c3426(3121121422(151321)3718207213820)193830322827(2410451125(24)3928)29(35)33(30)172396163623h13691216H4510111719H2(H3134)
MFCD04024396
N(4(benzyloxy)phenyl)2((3(furan2ylmethyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(4(benzyloxy)phenyl)2((3(furan2ylmethyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamide
ZINC000001249723
ZINC01249723
ZINC1249723
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