Vitas-M small molecule compound
(4-{[1-(2-fluorobenzyl)-3-nitro-1H-1,2,4-triazol-5-yl]oxy}-3-methoxyphenyl)methanol
Catalog ID
STK735056
SMILES COc1cc(CO)ccc1Oc1nc(nn1Cc1ccccc1F)[N+](=O)[O-]
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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 C17H15FN4O5 MW 374.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15FN4O5/c1-26-15-8-11(10-23)6-7-14(15)27-17-19-16(22(24)25)20-21(17)9-12-4-2-3-5-13(12)18/h2-8,23H,9-10H2,1H3InChIKey
BAGCGHDJIDFEGF-UHFFFAOYSA-NSynonyms
(4((1(2fluorobenzyl)3nitro1H124triazol5yl)oxy)3methoxyphenyl)methanol
(4((2((2FLUOROPHENYL)METHYL)5NITRO124TRIAZOL3YL)OXY)3METHOXYPHENYL)METHANOL
COC1=C(C=CC(=C1)CO)OC2=NC(=NN2CC3=CC=CC=C3F)(N+)(=O)(O)
COc1cc(CO)ccc1Oc1nc(nn1Cc1ccccc1F)(N+)(=O)(O)
InChI=1SC17H15FN4O5c12615811(1023)6714(15)27171916(22(24)25)2021(17)912423513(12)18h2823H910H21H3
MFCD05859475
ZINC000001059153
ZINC01059153
ZINC1059153
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