Vitas-M small molecule compound
(2-{[1-(2-fluorobenzyl)-3-nitro-1H-1,2,4-triazol-5-yl]oxy}phenyl)(pyrrolidin-1-yl)methanone
Catalog ID
STK735031
SMILES [O-][N+](=O)c1nn(c(n1)Oc1ccccc1C(=O)N1CCCC1)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 C20H18FN5O4 MW 411.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18FN5O4/c21-16-9-3-1-7-14(16)13-25-20(22-19(23-25)26(28)29)30-17-10-4-2-8-15(17)18(27)24-11-5-6-12-24/h1-4,7-10H,5-6,11-13H2InChIKey
FFYVEQZZZYULMB-UHFFFAOYSA-NSynonyms
(2((1(2fluorobenzyl)3nitro1H124triazol5yl)oxy)phenyl)(pyrrolidin1yl)methanone
(2((2((2FLUOROPHENYL)METHYL)5NITRO124TRIAZOL3YL)OXY)PHENYL)PYRROLIDIN1YLMETHANONE
(O)(N+)(=O)c1nn(c(n1)Oc1ccccc1C(=O)N1CCCC1)Cc1ccccc1F
C1CCN(C1)C(=O)C2=CC=CC=C2OC3=NC(=NN3CC4=CC=CC=C4F)(N+)(=O)(O)
InChI=1SC20H18FN5O4c2116931714(16)132520(2219(2325)26(28)29)30171042815(17)18(27)2411561224h14710H561113H2
MFCD05858101
ZINC000001428917
ZINC01428917
ZINC1428917
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