Vitas-M small molecule compound
N-{(1E)-1-[4-(diethylamino)phenyl]-3-[(2E)-2-(2-nitrobenzylidene)hydrazinyl]-3-oxoprop-1-en-2-yl}-4-nitrobenzamide
Catalog ID
STK190784
SMILES CCN(c1ccc(cc1)/C=C(\C(=O)N/N=C/c1ccccc1[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)22-13-9-19(10-14-22)17-24(29-26(34)20-11-15-23(16-12-20)32(36)37)27(35)30-28-18-21-7-5-6-8-25(21)33(38)39/h5-18H,3-4H2,1-2H3,(H,29,34)(H,30,35)/b24-17+,28-18+InChIKey
DOVVASNHRYYDIJ-FUMWUCPYSA-NSynonyms
CCN(c1ccc(cc1)C=C(C(=O)NN=Cc1ccccc1(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)2213919(101422)1724(2926(34)20111523(161220)32(36)37)27(35)30281821756825(21)33(38)39h518H34H212H3(H2934)(H3035)b2417+2818+
MFCD08680417
N((1E)1(4(DIETHYLAMINO)PHENYL)3((2E)2(2NITROBENZYLIDENE)HYDRAZINYL)3OXOPROP1EN2YL)4NITROBENZAMIDE
N((E)1(4(diethylamino)phenyl)3((2E)2((2nitrophenyl)methylidene)hydrazinyl)3oxoprop1en2yl)4nitrobenzamide
ZINC000101732405
ZINC101732398
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