Vitas-M small molecule compound
{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Catalog ID
STK311816
SMILES O=C(N1N=CCC1(O)C(F)(F)F)c1ccccc1Cn1nc(c(c1C)[N+](=O)[O-])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 C17H16F3N5O4 MW 411.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16F3N5O4/c1-10-14(25(28)29)11(2)23(22-10)9-12-5-3-4-6-13(12)15(26)24-16(27,7-8-21-24)17(18,19)20/h3-6,8,27H,7,9H2,1-2H3InChIKey
TZNRFJBDEPPAOG-UHFFFAOYSA-NSynonyms
1005691-19-9(2((35dimethyl4nitro1Hpyrazol1yl)methyl)phenyl)(5hydroxy5(trifluoromethyl)45dihydro1Hpyrazol1yl)methanone
(2((35dimethyl4nitropyrazol1yl)methyl)phenyl)(5hydroxy5(trifluoromethyl)4Hpyrazol1yl)methanone
1005691199
CC1=C(C(=NN1CC2=CC=CC=C2C(=O)N3C(CC=N3)(C(F)(F)F)O)C)(N+)(=O)(O)
InChI=1SC17H16F3N5O4c11014(25(28)29)11(2)23(2210)912534613(12)15(26)2416(27782124)17(1819)20h36827H79H212H3
MFCD04140112
O=C(N1N=CCC1(O)C(F)(F)F)c1ccccc1Cn1nc(c(c1C)(N+)(=O)(O))C
ZINC000006921031
ZINC000006921032
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