Vitas-M small molecule compound
4-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]-3,5-dinitrobenzamide
Catalog ID
STK069008
SMILES Cc1ccc(cc1)c1nc2c(o1)ccc(c2)NC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C
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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 C22H16N4O6 MW 432.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O6/c1-12-3-5-14(6-4-12)22-24-17-11-16(7-8-20(17)32-22)23-21(27)15-9-18(25(28)29)13(2)19(10-15)26(30)31/h3-11H,1-2H3,(H,23,27)InChIKey
UCZPUGQUYWHPPD-UHFFFAOYSA-NSynonyms
35BISNITRO4METHYLN(2(4METHYLPHENYL)13BENZOXAZOL5YL)BENZAMIDE
4METHYLN(2(4METHYLPHENYL)13BENZOXAZOL5YL)35DINITROBENZAMIDE
CC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC(=C(C(=C4)(N+)(=O)(O))C)(N+)(=O)(O)
Cc1ccc(cc1)c1nc2c(o1)ccc(c2)NC(=O)c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))C
InChI=1SC22H16N4O6c1123514(6412)2224171116(7820(17)3222)2321(27)15918(25(28)29)13(2)19(1015)26(30)31h311H12H3(H2327)
MFCD00582056
STK069008
ZINC000002187730
ZINC02187730
ZINC2187730
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