Vitas-M small molecule compound
{1-[4-(methoxycarbonyl)benzyl]-1H-1,2,4-triazol-4-ium-4-yl}(nitro)azanide
Catalog ID
STK674510
SMILES COC(=O)c1ccc(cc1)Cn1nc[n+](c1)[N-][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 C11H11N5O4 MW 277.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H11N5O4/c1-20-11(17)10-4-2-9(3-5-10)6-14-8-15(7-12-14)13-16(18)19/h2-5,7-8H,6H2,1H3InChIKey
ZYCOYGYMZQZTSW-UHFFFAOYSA-NSynonyms
(1((4METHOXYCARBONYLPHENYL)METHYL)124TRIAZOL4IUM4YL)NITROAZANIDE
(1(4(methoxycarbonyl)benzyl)1H124triazol4ium4yl)(nitro)azanide
COC(=O)C1=CC=C(C=C1)CN2C=(N+)(C=N2)(N)(N+)(=O)(O)
COC(=O)c1ccc(cc1)Cn1nc(n+)(c1)(N)(N+)(=O)(O)
InChI=1SC11H11N5O4c12011(17)10429(3510)614815(71214)1316(18)19h2578H6H21H3
METHYL4((4(NITROAMINO)124TRIAZOLYL)METHYL)BENZOATE
MFCD02109995
ZINC000012417813
ZINC04491672
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