Vitas-M small molecule compound
methyl 4,5-dimethyl-2-[({2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}carbonyl)amino]thiophene-3-carboxylate
Catalog ID
STK308069
SMILES COC(=O)c1c(NC(=O)c2ccccc2Cn2nc(cc2C)[N+](=O)[O-])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 C20H20N4O5S MW 428.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O5S/c1-11-9-16(24(27)28)22-23(11)10-14-7-5-6-8-15(14)18(25)21-19-17(20(26)29-4)12(2)13(3)30-19/h5-9H,10H2,1-4H3,(H,21,25)InChIKey
DBMZPSVBEWWHRE-UHFFFAOYSA-NSynonyms
1005567-08-71005567087
CC1=CC(=NN1CC2=CC=CC=C2C(=O)NC3=C(C(=C(S3)C)C)C(=O)OC)(N+)(=O)(O)
COC(=O)c1c(NC(=O)c2ccccc2Cn2nc(cc2C)(N+)(=O)(O))sc(c1C)C
InChI=1SC20H20N4O5Sc111916(24(27)28)2223(11)1014756815(14)18(25)211917(20(26)294)12(2)13(3)3019h59H10H214H3(H2125)
methyl45dimethyl2(((2((5methyl3nitro1Hpyrazol1yl)methyl)phenyl)carbonyl)amino)thiophene3carboxylate
methyl45dimethyl2((2((5methyl3nitropyrazol1yl)methyl)benzoyl)amino)thiophene3carboxylate
MFCD04131676
ZINC000002795449
ZINC02795449
ZINC2795449
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