Vitas-M small molecule compound
3-nitro-N-{(3E)-2-phenyl-5-[(phenylcarbonyl)amino]-2,4-dihydro-3H-1,2,4-triazol-3-ylidene}benzamide
Catalog ID
STK558782
SMILES O=C(c1cccc(c1)[N+](=O)[O-])/N=c/1\[nH]c(nn1c1ccccc1)NC(=O)c1ccccc1
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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 C22H16N6O4 MW 428.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N6O4/c29-19(15-8-3-1-4-9-15)23-21-25-22(27(26-21)17-11-5-2-6-12-17)24-20(30)16-10-7-13-18(14-16)28(31)32/h1-14H,(H2,23,24,25,26,29,30)InChIKey
MZARAQUSHANMQK-UHFFFAOYSA-NSynonyms
384352-93-6384352936
3nitroN((3E)2phenyl5((phenylcarbonyl)amino)24dihydro3H124triazol3ylidene)benzamide
C1=CC=C(C=C1)C(=O)NC2=NN(C(=N2)NC(=O)C3=CC(=CC=C3)(N+)(=O)(O))C4=CC=CC=C4
InChI=1SC22H16N6O4c2919(158314915)23212522(27(2621)17115261217)2420(30)161071318(1416)28(31)32h114H(H2232425262930)
MFCD03794304
N(3(BENZOYLAMINO)1PHENYL1H124TRIAZOL5YL)3NITROBENZAMIDE
N(5BENZAMIDO2PHENYL124TRIAZOL3YL)3NITROBENZAMIDE
O=C(c1cccc(c1)(N+)(=O)(O))N=c1(nH)c(nn1c1ccccc1)NC(=O)c1ccccc1
ZINC000008817111
ZINC08817111
ZINC8817111
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