Vitas-M small molecule compound
4-methyl-3,5-dinitro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
Catalog ID
STK085029
SMILES O=C(c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)Nc1ccc(cc1)Cc1ccncc1
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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 C20H16N4O5 MW 392.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O5/c1-13-18(23(26)27)11-16(12-19(13)24(28)29)20(25)22-17-4-2-14(3-5-17)10-15-6-8-21-9-7-15/h2-9,11-12H,10H2,1H3,(H,22,25)InChIKey
IYMMTSVSUPJJGP-UHFFFAOYSA-NSynonyms
4METHYL35DINITRON(4(PYRIDIN4YLMETHYL)PHENYL)BENZAMIDE
4METHYL35DINITRON(4PYRIDIN4YLMETHYLPHENYL)BENZAMIDE
CC1=C(C=C(C=C1(N+)(=O)(O))C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)(N+)(=O)(O)
InChI=1SC20H16N4O5c11318(23(26)27)1116(1219(13)24(28)29)20(25)22174214(3517)101568219715h291112H10H21H3(H2225)
MFCD01143658
O=C(c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))C)Nc1ccc(cc1)Cc1ccncc1
STK085029
ZINC000004663268
ZINC04663268
ZINC4663268
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