Vitas-M small molecule compound
nitro[1-(2-{[4-({[1-(nitroazanidyl)-4H-1,2,4-triazol-1-ium-4-yl]acetyl}amino)phenyl]amino}-2-oxoethyl)-1H-1,2,4-triazol-4-ium-4-yl]azanide
Catalog ID
STK675987
SMILES O=C(Cn1cn[n+](c1)[N-][N+](=O)[O-])Nc1ccc(cc1)NC(=O)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 C14H14N12O6 MW 446.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N12O6/c27-13(5-21-7-16-24(9-21)20-26(31)32)17-11-1-3-12(4-2-11)18-14(28)6-22-10-23(8-15-22)19-25(29)30/h1-4,7-10H,5-6H2,(H,17,27)(H,18,28)InChIKey
HQBIDBSVJYJHKB-UHFFFAOYSA-NSynonyms
C1=CC(=CC=C1NC(=O)CN2C=(N+)(C=N2)(N)(N+)(=O)(O))NC(=O)C(N+)3=CN(N=C3)(N)(N+)(=O)(O)
InChI=1SC14H14N12O6c2713(52171624(921)2026(31)32)17111312(4211)1814(28)6221023(81522)1925(29)30h14710H56H2(H1727)(H1828)
MFCD02110221
nitro(1(2((4(((1(nitroazanidyl)4H124triazol1ium4yl)acetyl)amino)phenyl)amino)2oxoethyl)1H124triazol4ium4yl)azanide
NITRO(1(2(4((2(1NITROAZANIDYL124TRIAZOL4IUM4YL)ACETYL)AMINO)ANILINO)2OXOETHYL)124TRIAZOL4IUM4YL)AZANIDE
O=C(Cn1cn(n+)(c1)(N)(N+)(=O)(O))Nc1ccc(cc1)NC(=O)Cn1nc(n+)(c1)(N)(N+)(=O)(O)
ZINC000012374581
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