Vitas-M small molecule compound
4-[({[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STK555913
SMILES O=C(Nc1ccc(cc1)C(=O)O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)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 C25H20ClN3O4S2 MW 526.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClN3O4S2/c26-15-7-11-17(12-8-15)29-23(31)21-18-3-1-2-4-19(18)35-22(21)28-25(29)34-13-20(30)27-16-9-5-14(6-10-16)24(32)33/h5-12H,1-4,13H2,(H,27,30)(H,32,33)InChIKey
KPBZMHYXRLONMT-UHFFFAOYSA-NSynonyms
761409-57-84((((3(4chlorophenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoicacid
4((2((3(4chlorophenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoicacid
4(2((3(4chlorophenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamido)benzoicacid
761409578
C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)Cl)SCC(=O)NC5=CC=C(C=C5)C(=O)O
InChI=1SC25H20ClN3O4S2c261571117(12815)2923(31)2118312419(18)3522(21)2825(29)341320(30)27169514(61016)24(32)33h512H1413H2(H2730)(H3233)
MFCD03474040
ZINC000002356253
ZINC2356253
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