Vitas-M small molecule compound
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dinitrobenzamide
Catalog ID
STK067945
SMILES Cc1c(cccc1c1nc2c(o1)cccc2)NC(=O)c1cc(cc(c1)[N+](=O)[O-])[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 C21H14N4O6 MW 418.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14N4O6/c1-12-16(21-23-18-6-2-3-8-19(18)31-21)5-4-7-17(12)22-20(26)13-9-14(24(27)28)11-15(10-13)25(29)30/h2-11H,1H3,(H,22,26)InChIKey
QMSDVAMHZKAZPF-UHFFFAOYSA-NSynonyms
CC1=C(C=CC=C1NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))(N+)(=O)(O))C3=NC4=CC=CC=C4O3
Cc1c(cccc1c1nc2c(o1)cccc2)NC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC21H14N4O6c11216(212318623819(18)3121)54717(12)2220(26)13914(24(27)28)1115(1013)25(29)30h211H1H3(H2226)
MFCD01144649
N(3(13BENZOXAZOL2YL)2METHYLPHENYL)35DINITROBENZAMIDE
STK067945
ZINC000013898101
ZINC13898101
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