Vitas-M small molecule compound
ethyl 5-(diethylcarbamoyl)-2-{[(1-ethyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}-4-methylthiophene-3-carboxylate
Catalog ID
STL405234
SMILES CCOC(=O)c1c(sc(c1C)C(=O)N(CC)CC)NC(=O)c1n(CC)ncc1[N+](=O)[O-]
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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 C19H25N5O6S MW 451.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N5O6S/c1-6-22(7-2)18(26)15-11(5)13(19(27)30-9-4)17(31-15)21-16(25)14-12(24(28)29)10-20-23(14)8-3/h10H,6-9H2,1-5H3,(H,21,25)InChIKey
GJSPXTAVOSHKGV-UHFFFAOYSA-NSynonyms
514799-17-8514799178
CCN1C(=C(C=N1)(N+)(=O)(O))C(=O)NC2=C(C(=C(S2)C(=O)N(CC)CC)C)C(=O)OCC
CCOC(=O)c1c(sc(c1C)C(=O)N(CC)CC)NC(=O)c1n(CC)ncc1(N+)(=O)(O)
ethyl5(diethylcarbamoyl)2(((1ethyl4nitro1Hpyrazol5yl)carbonyl)amino)4methylthiophene3carboxylate
ETHYL5(DIETHYLCARBAMOYL)2((2ETHYL4NITROPYRAZOLE3CARBONYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC19H25N5O6Sc1622(72)18(26)1511(5)13(19(27)3094)17(3115)2116(25)1412(24(28)29)102023(14)83h10H69H215H3(H2125)
MFCD01922580
ZINC000002753514
ZINC02753514
ZINC2753514
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