Vitas-M small molecule compound
2-(4-chlorophenyl)-8-cyclohexylidene-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STK537713
SMILES O=C1C2C(C(=O)N1c1ccc(cc1)Cl)C1C(=C3CCCCC3)C2C=C1
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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 C21H20ClNO2 MW 353.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClNO2/c22-13-6-8-14(9-7-13)23-20(24)18-15-10-11-16(19(18)21(23)25)17(15)12-4-2-1-3-5-12/h6-11,15-16,18-19H,1-5H2InChIKey
WUYKWGBQZCUCIQ-UHFFFAOYSA-NSynonyms
(3aR4R7S7aS)2(4chlorophenyl)8cyclohexylidene3a477atetrahydro1H47methanoisoindole13(2H)dione
2(4chlorophenyl)8cyclohexylidene3a477atetrahydro1H47methanoisoindole13(2H)dione
C1CCC(=C2C3C=CC2C4C3C(=O)N(C4=O)C5=CC=C(C=C5)Cl)CC1
InChI=1SC21H20ClNO2c22136814(9713)2320(24)1815101116(19(18)21(23)25)17(15)124213512h61115161819H15H2
MFCD01187917
ZINC000102681824
ZINC000102681830
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