Vitas-M small molecule compound
4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
Catalog ID
STL402701
SMILES O=C(c1noc(c1Cn1nc(c(c1C)[N+](=O)[O-])C)C)Nc1ccc(cc1)C(F)(F)F
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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 C18H16F3N5O4 MW 423.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16F3N5O4/c1-9-16(26(28)29)10(2)25(23-9)8-14-11(3)30-24-15(14)17(27)22-13-6-4-12(5-7-13)18(19,20)21/h4-7H,8H2,1-3H3,(H,22,27)InChIKey
DVBBMUNEKXENAJ-UHFFFAOYSA-NSynonyms
1006997-22-31006997223
4((35dimethyl4nitro1Hpyrazol1yl)methyl)5methylN(4(trifluoromethyl)phenyl)12oxazole3carboxamide
4((35dimethyl4nitropyrazol1yl)methyl)5methylN(4(trifluoromethyl)phenyl)12oxazole3carboxamide
CC1=C(C(=NN1CC2=C(ON=C2C(=O)NC3=CC=C(C=C3)C(F)(F)F)C)C)(N+)(=O)(O)
InChI=1SC18H16F3N5O4c1916(26(28)29)10(2)25(239)81411(3)302415(14)17(27)22136412(5713)18(1920)21h47H8H213H3(H2227)
MFCD08554485
O=C(c1noc(c1Cn1nc(c(c1C)(N+)(=O)(O))C)C)Nc1ccc(cc1)C(F)(F)F
ZINC000017093489
ZINC17093489
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