Vitas-M small molecule compound
methyl 2-[({2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK308107
SMILES COC(=O)c1c(NC(=O)c2ccccc2Cn2nc(c(c2C)[N+](=O)[O-])C)sc(c1C)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 C21H22N4O5S MW 442.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O5S/c1-11-14(4)31-20(17(11)21(27)30-5)22-19(26)16-9-7-6-8-15(16)10-24-13(3)18(25(28)29)12(2)23-24/h6-9H,10H2,1-5H3,(H,22,26)InChIKey
CXMZTQOXUWHFKS-UHFFFAOYSA-NSynonyms
1005683-79-31005683793
CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=CC=C2CN3C(=C(C(=N3)C)(N+)(=O)(O))C)C
COC(=O)c1c(NC(=O)c2ccccc2Cn2nc(c(c2C)(N+)(=O)(O))C)sc(c1C)C
InChI=1SC21H22N4O5Sc11114(4)3120(17(11)21(27)305)2219(26)16976815(16)102413(3)18(25(28)29)12(2)2324h69H10H215H3(H2226)
methyl2(((2((35dimethyl4nitro1Hpyrazol1yl)methyl)phenyl)carbonyl)amino)45dimethylthiophene3carboxylate
methyl2((2((35dimethyl4nitropyrazol1yl)methyl)benzoyl)amino)45dimethylthiophene3carboxylate
MFCD04131734
ZINC000002795529
ZINC02795529
ZINC2795529
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