Vitas-M small molecule compound

(3Z,7E)-3,7-dibenzylidenecycloheptane-1,2-dione

Catalog ID
STL512754
SMILES O=C1/C(=C/c2ccccc2)/CCC/C(=C/c2ccccc2)/C1=O

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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 C21H18O2 MW 302.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18O2/c22-20-18(14-16-8-3-1-4-9-16)12-7-13-19(21(20)23)15-17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2/b18-14-,19-15+
InChIKey
IBFUPJJVGPTQOS-KPNKYRRCSA-N
Synonyms
102477-89-4
(3~(E)7~(Z))37dibenzylidenecycloheptane12dione
(3E7Z)37DIBENZYLIDENECYCLOHEPTANE12DIONE
(3Z7E)37dibenzylidenecycloheptane12dione
102477894
5345037
InChI=1SC21H18O2c222018(14168314916)1271319(21(20)23)1517105261117h168111415H71213H2b18141915+
MFCD01845479
O=C1C(=Cc2ccccc2)CCCC(=Cc2ccccc2)C1=O
ZINC000032109481
ZINC32109481

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Available files

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