Vitas-M small molecule compound
ethyl 2-{[(1-benzyl-3-nitro-1H-pyrazol-5-yl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK765004
SMILES CCOC(=O)c1c(sc(c1C)C)NC(=O)c1cc(nn1Cc1ccccc1)[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 C20H20N4O5S MW 428.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O5S/c1-4-29-20(26)17-12(2)13(3)30-19(17)21-18(25)15-10-16(24(27)28)22-23(15)11-14-8-6-5-7-9-14/h5-10H,4,11H2,1-3H3,(H,21,25)InChIKey
OIJHCUIAVSNNIF-UHFFFAOYSA-NSynonyms
403714-69-2403714692
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC(=NN2CC3=CC=CC=C3)(N+)(=O)(O)
CCOC(=O)c1c(sc(c1C)C)NC(=O)c1cc(nn1Cc1ccccc1)(N+)(=O)(O)
ETHYL2(((1BENZYL3NITRO1HPYRAZOL5YL)CARBONYL)AMINO)45DIMETHYL3THIOPHENECARBOXYLATE
ethyl2(((1benzyl3nitro1Hpyrazol5yl)carbonyl)amino)45dimethylthiophene3carboxylate
ETHYL2((2BENZYL5NITROPYRAZOLE3CARBONYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC20H20N4O5Sc142920(26)1712(2)13(3)3019(17)2118(25)151016(24(27)28)2223(15)11148657914h510H411H213H3(H2125)
MFCD02371778
ZINC000000672979
ZINC00672979
ZINC672979
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