Vitas-M small molecule compound
4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[1-(2-fluorobenzyl)-1H-pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
Catalog ID
STK314986
SMILES O=C(c1noc(c1Cn1nc(c(c1C)[N+](=O)[O-])C)C)Nc1cnn(c1)Cc1ccccc1F
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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 C21H20FN7O4 MW 453.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FN7O4/c1-12-20(29(31)32)13(2)28(25-12)11-17-14(3)33-26-19(17)21(30)24-16-8-23-27(10-16)9-15-6-4-5-7-18(15)22/h4-8,10H,9,11H2,1-3H3,(H,24,30)InChIKey
OVLVYGXCJUJYFW-UHFFFAOYSA-NSynonyms
1006993-76-51006993765
4((35dimethyl4nitro1Hpyrazol1yl)methyl)N(1(2fluorobenzyl)1Hpyrazol4yl)5methyl12oxazole3carboxamide
4((35dimethyl4nitropyrazol1yl)methyl)N(1((2fluorophenyl)methyl)pyrazol4yl)5methyl12oxazole3carboxamide
CC1=C(C(=NN1CC2=C(ON=C2C(=O)NC3=CN(N=C3)CC4=CC=CC=C4F)C)C)(N+)(=O)(O)
InChI=1SC21H20FN7O4c11220(29(31)32)13(2)28(2512)111714(3)332619(17)21(30)241682327(1016)915645718(15)22h4810H911H213H3(H2430)
MFCD08553956
O=C(c1noc(c1Cn1nc(c(c1C)(N+)(=O)(O))C)C)Nc1cnn(c1)Cc1ccccc1F
ZINC000013961274
ZINC13961274
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