Vitas-M small molecule compound
{[5-methyl-3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid
Catalog ID
STK531211
SMILES OC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)C(C)CCC3
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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 C20H20N2O3S2 MW 400.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O3S2/c1-11-6-8-13(9-7-11)22-19(25)17-16-12(2)4-3-5-14(16)27-18(17)21-20(22)26-10-15(23)24/h6-9,12H,3-5,10H2,1-2H3,(H,23,24)InChIKey
QUKHKRZCPZTMMZ-UHFFFAOYSA-NSynonyms
((5methyl3(4methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)aceticacid
2((5methyl3(4methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)aceticacid
2((5methyl4oxo3(ptolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)aceticacid
CC1CCCC2=C1C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)C)SCC(=O)O
InChI=1SC20H20N2O3S2c1116813(9711)2219(25)171612(2)43514(16)2718(17)2120(22)261015(23)24h6912H3510H212H3(H2324)
MFCD02991583
ZINC000002278993
ZINC000002278994
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