Vitas-M small molecule compound
7-[(1-methylpyridinium-4-yl)methyl]-6-nitro-7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-ide
Catalog ID
STK678071
SMILES [O-][N+](=O)C1=C[N-]c2n(C1Cc1cc[n+](cc1)C)ncn2
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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 C12H12N6O2 MW 272.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N6O2/c1-16-4-2-9(3-5-16)6-10-11(18(19)20)7-13-12-14-8-15-17(10)12/h2-5,7-8,10H,6H2,1H3InChIKey
GFQLJVVMFYGTJZ-UHFFFAOYSA-NSynonyms
((7((1METHYLPYRIDINIUM4YL)METHYL)(124)TRIAZOLO(15A)PYRIMIDIN6(7H)YLIDENE)(OXIDO)AMINO)OXIDANIDE
(7((1METHYLPYRIDIN1IUM4YL)METHYL)7H(124)TRIAZOLO(15A)PYRIMIDIN6YLIDENE)DIOXIDOAZANIUM
(O)(N+)(=O)C1=C(N)c2n(C1Cc1cc(n+)(cc1)C)ncn2
7((1methylpyridinium4yl)methyl)6nitro7H(124)triazolo(15a)pyrimidin4ide
C(N+)1=CC=C(C=C1)CC2C(=(N+)((O))(O))C=NC3=NC=NN23
InChI=1SC12H12N6O2c116429(3516)61011(18(19)20)713121481517(10)12h257810H6H21H3
MFCD03018003
ZINC000012371984
ZINC000013146750
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