Vitas-M small molecule compound
1-(2-methoxy-5-methylbenzyl)-3-nitro-1H-1,2,4-triazole
Catalog ID
STK769028
SMILES COc1ccc(cc1Cn1cnc(n1)[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 C11H12N4O3 MW 248.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H12N4O3/c1-8-3-4-10(18-2)9(5-8)6-14-7-12-11(13-14)15(16)17/h3-5,7H,6H2,1-2H3InChIKey
VIRQRAPQBMCEKV-UHFFFAOYSA-NSynonyms
524037-09-01((2METHOXY5METHYLPHENYL)METHYL)3NITRO124TRIAZOLE
1(2METHOXY5METHYLBENZYL)3NITRO1H(124)TRIAZOLE
1(2methoxy5methylbenzyl)3nitro1H124triazole
1METHOXY4METHYL2((3NITRO(124TRIAZOLYL))METHYL)BENZENE
524037090
CC1=CC(=C(C=C1)OC)CN2C=NC(=N2)(N+)(=O)(O)
COc1ccc(cc1Cn1cnc(n1)(N+)(=O)(O))C
InChI=1SC11H12N4O3c183410(182)9(58)61471211(1314)15(16)17h357H6H212H3
MFCD03196873
ZINC000000033633
ZINC00033633
ZINC33633
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