Vitas-M small molecule compound
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(naphthalen-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK760927
SMILES Clc1ccc(cc1)C(=O)CSc1nc2sc3c(c2c(=O)n1c1cccc2c1cccc2)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 C28H21ClN2O2S2 MW 517.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21ClN2O2S2/c29-19-14-12-18(13-15-19)23(32)16-34-28-30-26-25(21-9-3-4-11-24(21)35-26)27(33)31(28)22-10-5-7-17-6-1-2-8-20(17)22/h1-2,5-8,10,12-15H,3-4,9,11,16H2InChIKey
MSORBEHBYVZVEP-UHFFFAOYSA-NSynonyms
2((2(4chlorophenyl)2oxoethyl)sulfanyl)3(naphthalen1yl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(2(4chlorophenyl)2oxoethyl)sulfanyl3naphthalen1yl5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=CC5=CC=CC=C54)SCC(=O)C6=CC=C(C=C6)Cl
InChI=1SC28H21ClN2O2S2c2919141218(131519)23(32)163428302625(219341124(21)3526)27(33)31(28)22105717612820(17)22h1258101215H3491116H2
MFCD01409622
ZINC000002185804
ZINC02185804
ZINC2185804
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