Vitas-M small molecule compound
4-methyl-3,5-dinitro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
Catalog ID
STK007313
SMILES O=C(c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)Nc1ccc2c(c1)nc(o2)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 C21H14N4O6 MW 418.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14N4O6/c1-12-17(24(27)28)9-14(10-18(12)25(29)30)20(26)22-15-7-8-19-16(11-15)23-21(31-19)13-5-3-2-4-6-13/h2-11H,1H3,(H,22,26)InChIKey
YCNCKWFMYBBQAK-UHFFFAOYSA-NSynonyms
(4METHYL35DINITROPHENYL)N(2PHENYLBENZOXAZOL5YL)CARBOXAMIDE
35BISNITRO4METHYLN(2PHENYL13BENZOXAZOL5YL)BENZAMIDE
4METHYL35DINITRON(2PHENYL13BENZOXAZOL5YL)BENZAMIDE
4METHYL35DINITRON(2PHENYLBENZOOXAZOL5YL)BENZAMIDE
CC1=C(C=C(C=C1(N+)(=O)(O))C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4)(N+)(=O)(O)
InChI=1SC21H14N4O6c11217(24(27)28)914(1018(12)25(29)30)20(26)2215781916(1115)2321(3119)135324613h211H1H3(H2226)
MFCD00581974
O=C(c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))C)Nc1ccc2c(c1)nc(o2)c1ccccc1
STK007313
ZINC000002069178
ZINC02069178
ZINC2069178
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