Vitas-M small molecule compound
N-{(1E)-1-[4-(diethylamino)phenyl]-3-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-3-oxoprop-1-en-2-yl}-4-nitrobenzamide
Catalog ID
STK190785
SMILES CCN(c1ccc(cc1)/C=C(\C(=O)N/N=C/c1cccc(c1)[N+](=O)[O-])/NC(=O)c1ccc(cc1)[N+](=O)[O-])CC
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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 C27H26N6O6 MW 530.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N6O6/c1-3-31(4-2)22-12-8-19(9-13-22)17-25(29-26(34)21-10-14-23(15-11-21)32(36)37)27(35)30-28-18-20-6-5-7-24(16-20)33(38)39/h5-18H,3-4H2,1-2H3,(H,29,34)(H,30,35)/b25-17+,28-18+InChIKey
OZLMXSFEUWRVGS-KWCUBGNDSA-NSynonyms
CCN(c1ccc(cc1)C=C(C(=O)NN=Cc1cccc(c1)(N+)(=O)(O))NC(=O)c1ccc(cc1)(N+)(=O)(O))CC
CCN(CC)C1=CC=C(C=C1)C=C(C(=O)NN=CC2=CC(=CC=C2)(N+)(=O)(O))NC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC27H26N6O6c1331(42)2212819(91322)1725(2926(34)21101423(151121)32(36)37)27(35)3028182065724(1620)33(38)39h518H34H212H3(H2934)(H3035)b2517+2818+
MFCD08680418
N((1E)1(4(DIETHYLAMINO)PHENYL)3((2E)2(3NITROBENZYLIDENE)HYDRAZINYL)3OXOPROP1EN2YL)4NITROBENZAMIDE
N((E)1(4(diethylamino)phenyl)3((2E)2((3nitrophenyl)methylidene)hydrazinyl)3oxoprop1en2yl)4nitrobenzamide
ZINC000101732415
ZINC101732409
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