Vitas-M small molecule compound
N-{(1E)-3-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-1-[4-(diethylamino)phenyl]-3-oxoprop-1-en-2-yl}-4-nitrobenzamide
Catalog ID
STK190782
SMILES CCN(c1ccc(cc1)/C=C(\C(=O)N/N=C/c1ccc(cc1)Br)/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 C27H26BrN5O4 MW 564.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26BrN5O4/c1-3-32(4-2)23-13-7-19(8-14-23)17-25(27(35)31-29-18-20-5-11-22(28)12-6-20)30-26(34)21-9-15-24(16-10-21)33(36)37/h5-18H,3-4H2,1-2H3,(H,30,34)(H,31,35)/b25-17+,29-18+InChIKey
NXBWGTWZLAALMH-OVRWREGLSA-NSynonyms
CCN(c1ccc(cc1)C=C(C(=O)NN=Cc1ccc(cc1)Br)NC(=O)c1ccc(cc1)(N+)(=O)(O))CC
CCN(CC)C1=CC=C(C=C1)C=C(C(=O)NN=CC2=CC=C(C=C2)Br)NC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC27H26BrN5O4c1332(42)2313719(81423)1725(27(35)3129182051122(28)12620)3026(34)2191524(161021)33(36)37h518H34H212H3(H3034)(H3135)b2517+2918+
MFCD08680415
N((1E)3((2E)2(4BROMOBENZYLIDENE)HYDRAZINYL)1(4(DIETHYLAMINO)PHENYL)3OXOPROP1EN2YL)4NITROBENZAMIDE
N((E)3((2E)2((4bromophenyl)methylidene)hydrazinyl)1(4(diethylamino)phenyl)3oxoprop1en2yl)4nitrobenzamide
ZINC000101732373
ZINC101732364
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