Vitas-M small molecule compound
(2E,6E)-2-benzylidene-6-(4-nitrobenzylidene)cyclohexanone
Catalog ID
STL112574
SMILES O=C1/C(=C/c2ccc(cc2)[N+](=O)[O-])/CCC/C/1=C\c1ccccc1
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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 C20H17NO3 MW 319.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO3/c22-20-17(13-15-5-2-1-3-6-15)7-4-8-18(20)14-16-9-11-19(12-10-16)21(23)24/h1-3,5-6,9-14H,4,7-8H2/b17-13+,18-14+InChIKey
DIJBXRYOCMRKHS-HBKJEHTGSA-NSynonyms
(2E6E)2BENZYLIDENE6((4NITROPHENYL)METHYLIDENE)CYCLOHEXAN1ONE
(2E6E)2benzylidene6(4nitrobenzylidene)cyclohexanone
2(4NITROBENZYLIDENE)6BENZYLIDENECYCLOHEXANONE
C1CC(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=C(C=C3)(N+)(=O)(O))C1
InChI=1SC20H17NO3c222017(13155213615)74818(20)141691119(121016)21(23)24h1356914H478H2b1713+1814+
MFCD00489703
O=C1C(=Cc2ccc(cc2)(N+)(=O)(O))CCCC1=Cc1ccccc1
ZINC000005259223
ZINC05259223
ZINC5259223
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