Vitas-M small molecule compound
{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Catalog ID
STK302663
SMILES CC1=NN(C(C1)(O)C(F)(F)F)C(=O)c1cccc(c1)Cn1cc(c(n1)[N+](=O)[O-])Br
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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 C16H13BrF3N5O4 MW 476.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13BrF3N5O4/c1-9-6-15(27,16(18,19)20)24(21-9)14(26)11-4-2-3-10(5-11)7-23-8-12(17)13(22-23)25(28)29/h2-5,8,27H,6-7H2,1H3InChIKey
YBUILCGIHSEOCU-UHFFFAOYSA-NSynonyms
957490-03-8(3((4bromo3nitro1Hpyrazol1yl)methyl)phenyl)(5hydroxy3methyl5(trifluoromethyl)45dihydro1Hpyrazol1yl)methanone
(3((4BROMO3NITROPYRAZOL1YL)METHYL)PHENYL)(5HYDROXY3METHYL5(TRIFLUOROMETHYL)4HPYRAZOL1YL)METHANONE
1(3((4BROMO3NITRO1HPYRAZOL1YL)METHYL)BENZOYL)3METHYL5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOL5OL
957490038
CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC(=CC=C2)CN3C=C(C(=N3)(N+)(=O)(O))Br
CC1=NN(C(C1)(O)C(F)(F)F)C(=O)c1cccc(c1)Cn1cc(c(n1)(N+)(=O)(O))Br
InChI=1SC16H13BrF3N5O4c19615(2716(1819)20)24(219)14(26)1142310(511)723812(17)13(2223)25(28)29h25827H67H21H3
MFCD04048313
ZINC000013958080
ZINC000013958081
Check stock
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Check stock on Vitas-MAvailable files
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