Vitas-M small molecule compound
ethyl 2-({[5-chloro-2-(prop-2-en-1-ylsulfanyl)pyrimidin-4-yl]carbonyl}amino)-4-(4-methylphenyl)thiophene-3-carboxylate
Catalog ID
STK911686
SMILES C=CCSc1ncc(c(n1)C(=O)Nc1scc(c1C(=O)OCC)c1ccc(cc1)C)Cl
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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 C22H20ClN3O3S2 MW 474.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN3O3S2/c1-4-10-30-22-24-11-16(23)18(25-22)19(27)26-20-17(21(28)29-5-2)15(12-31-20)14-8-6-13(3)7-9-14/h4,6-9,11-12H,1,5,10H2,2-3H3,(H,26,27)InChIKey
XEMQTGGCWOTYRP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C3=NC(=NC=C3Cl)SCC=C
ethyl2(((5chloro2(prop2en1ylsulfanyl)pyrimidin4yl)carbonyl)amino)4(4methylphenyl)thiophene3carboxylate
ethyl2((5chloro2prop2enylsulfanylpyrimidine4carbonyl)amino)4(4methylphenyl)thiophene3carboxylate
InChI=1SC22H20ClN3O3S2c14103022241116(23)18(2522)19(27)262017(21(28)2952)15(123120)148613(3)7914h4691112H1510H223H3(H2627)
MFCD07426614
ZINC000008916157
ZINC08916157
ZINC8916157
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