Vitas-M small molecule compound
ethyl 5-acetyl-4-methyl-2-{[(5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}thiophene-3-carboxylate
Catalog ID
STK779376
SMILES CCOC(=O)c1c(NC(=O)Cn2nc(cc2C)[N+](=O)[O-])sc(c1C)C(=O)C
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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 C16H18N4O6S MW 394.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O6S/c1-5-26-16(23)13-9(3)14(10(4)21)27-15(13)17-12(22)7-19-8(2)6-11(18-19)20(24)25/h6H,5,7H2,1-4H3,(H,17,22)InChIKey
FPHLLKMPEQGUKC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CN2C(=CC(=N2)(N+)(=O)(O))C
CCOC(=O)c1c(NC(=O)Cn2nc(cc2C)(N+)(=O)(O))sc(c1C)C(=O)C
ethyl5acetyl4methyl2(((5methyl3nitro1Hpyrazol1yl)acetyl)amino)thiophene3carboxylate
ETHYL5ACETYL4METHYL2((2(5METHYL3NITROPYRAZOL1YL)ACETYL)AMINO)THIOPHENE3CARBOXYLATE
InChI=1SC16H18N4O6Sc152616(23)139(3)14(10(4)21)2715(13)1712(22)7198(2)611(1819)20(24)25h6H57H214H3(H1722)
MFCD05858480
ZINC000012413658
ZINC12413658
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