Vitas-M small molecule compound
3-methylbutyl 4-[(2,4-dinitrophenyl)amino]benzoate
Catalog ID
STK748729
SMILES CC(CCOC(=O)c1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])[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 C18H19N3O6 MW 373.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O6/c1-12(2)9-10-27-18(22)13-3-5-14(6-4-13)19-16-8-7-15(20(23)24)11-17(16)21(25)26/h3-8,11-12,19H,9-10H2,1-2H3InChIKey
YRMXPZZJIJLMTB-UHFFFAOYSA-NSynonyms
3methylbutyl4((24dinitrophenyl)amino)benzoate
3METHYLBUTYL4(24DINITROANILINO)BENZOATE
CC(C)CCOC(=O)C1=CC=C(C=C1)NC2=C(C=C(C=C2)(N+)(=O)(O))(N+)(=O)(O)
CC(CCOC(=O)c1ccc(cc1)Nc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))C
InChI=1SC18H19N3O6c112(2)9102718(22)133514(6413)19168715(20(23)24)1117(16)21(25)26h38111219H910H212H3
MFCD00360935
ZINC000004358157
ZINC04358157
ZINC4358157
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