Vitas-M small molecule compound
diethyl 3-methyl-5-{[(1-methyl-3-nitro-1H-pyrazol-5-yl)carbonyl]amino}thiophene-2,4-dicarboxylate
Catalog ID
STK785599
SMILES CCOC(=O)c1c(NC(=O)c2cc(nn2C)[N+](=O)[O-])sc(c1C)C(=O)OCC
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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 C16H18N4O7S MW 410.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O7S/c1-5-26-15(22)11-8(3)12(16(23)27-6-2)28-14(11)17-13(21)9-7-10(20(24)25)18-19(9)4/h7H,5-6H2,1-4H3,(H,17,21)InChIKey
QXVDIHLKEKNYSW-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC(=NN2C)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)c2cc(nn2C)(N+)(=O)(O))sc(c1C)C(=O)OCC
diethyl3methyl5(((1methyl3nitro1Hpyrazol5yl)carbonyl)amino)thiophene24dicarboxylate
DIETHYL3METHYL5((2METHYL5NITROPYRAZOLE3CARBONYL)AMINO)THIOPHENE24DICARBOXYLATE
InChI=1SC16H18N4O7Sc152615(22)118(3)12(16(23)2762)2814(11)1713(21)9710(20(24)25)1819(9)4h7H56H214H3(H1721)
MFCD07800070
ZINC000012413669
ZINC12413669
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