Vitas-M small molecule compound
ethyl 2-{[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]amino}-1,3-benzothiazole-6-carboxylate
Catalog ID
STK792042
SMILES CCOC(=O)c1ccc2c(c1)sc(n2)NC1(C(=O)NC(=C1C#N)C)C(F)(F)F
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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 C17H13F3N4O3S MW 410.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13F3N4O3S/c1-3-27-13(25)9-4-5-11-12(6-9)28-15(23-11)24-16(17(18,19)20)10(7-21)8(2)22-14(16)26/h4-6H,3H2,1-2H3,(H,22,26)(H,23,24)InChIKey
ORGQYIWXQCCQON-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC3(C(=C(NC3=O)C)C#N)C(F)(F)F
ETHYL2((4CYANO5METHYL2OXO3(TRIFLUOROMETHYL)1HPYRROL3YL)AMINO)13BENZOTHIAZOLE6CARBOXYLATE
ethyl2((4cyano5methyl2oxo3(trifluoromethyl)23dihydro1Hpyrrol3yl)amino)13benzothiazole6carboxylate
InChI=1SC17H13F3N4O3Sc132713(25)9451112(69)2815(2311)2416(17(1819)20)10(721)8(2)2214(16)26h46H3H212H3(H2226)(H2324)
MFCD05259902
ZINC000004690101
ZINC000004690103
Check stock
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