Vitas-M small molecule compound
4-[(3-methoxyphenyl)amino]-3,5-dinitro-N-[4-(octyloxy)phenyl]benzamide
Catalog ID
STK672605
SMILES CCCCCCCCOc1ccc(cc1)NC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Nc1cccc(c1)OC
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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 C28H32N4O7 MW 536.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N4O7/c1-3-4-5-6-7-8-16-39-23-14-12-21(13-15-23)30-28(33)20-17-25(31(34)35)27(26(18-20)32(36)37)29-22-10-9-11-24(19-22)38-2/h9-15,17-19,29H,3-8,16H2,1-2H3,(H,30,33)InChIKey
JMLPQQSQCHTLQN-UHFFFAOYSA-NSynonyms
4((3methoxyphenyl)amino)35dinitroN(4(octyloxy)phenyl)benzamide
4(3METHOXYANILINO)35DINITRON(4OCTOXYPHENYL)BENZAMIDE
CCCCCCCCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2)(N+)(=O)(O))NC3=CC(=CC=C3)OC)(N+)(=O)(O)
CCCCCCCCOc1ccc(cc1)NC(=O)c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))Nc1cccc(c1)OC
InChI=1SC28H32N4O7c1345678163923141221(131523)3028(33)201725(31(34)35)27(26(1820)32(36)37)29221091124(1922)382h915171929H3816H212H3(H3033)
MFCD00717387
ZINC000100050653
ZINC100050653
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