Vitas-M small molecule compound
benzyl (2-methyl-5-nitro-1H-imidazol-1-yl)acetate
Catalog ID
STL376915
SMILES O=C(Cn1c(C)ncc1[N+](=O)[O-])OCc1ccccc1
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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 C13H13N3O4 MW 275.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O4/c1-10-14-7-12(16(18)19)15(10)8-13(17)20-9-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3InChIKey
VBYUMFYLISLGGV-UHFFFAOYSA-NSynonyms
(2METHYL5NITROIMIDAZOL1YL)ACETICACIDBENZYLESTER
benzyl(2methyl5nitro1Himidazol1yl)acetate
BENZYL2(2METHYL5NITROIMIDAZOL1YL)ACETATE
CC1=NC=C(N1CC(=O)OCC2=CC=CC=C2)(N+)(=O)(O)
InChI=1SC13H13N3O4c11014712(16(18)19)15(10)813(17)209115324611h27H89H21H3
MFCD07790129
O=C(Cn1c(C)ncc1(N+)(=O)(O))OCc1ccccc1
ZINC000004912805
ZINC04912805
ZINC4912805
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