Vitas-M small molecule compound

8-cyclohexylidene-2-(4-methoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

Catalog ID
STL059343
SMILES COc1ccc(cc1)N1C(=O)C2C(C1=O)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 C22H23NO3 MW 349.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO3/c1-26-15-9-7-14(8-10-15)23-21(24)19-16-11-12-17(20(19)22(23)25)18(16)13-5-3-2-4-6-13/h7-12,16-17,19-20H,2-6H2,1H3
InChIKey
QMEZDDJYEPGVAI-UHFFFAOYSA-N
Synonyms

(3aR4R7S7aS)8cyclohexylidene2(4methoxyphenyl)3a477atetrahydro1H47methanoisoindole13(2H)dione
8cyclohexylidene2(4methoxyphenyl)3a477atetrahydro1H47methanoisoindole13(2H)dione
COC1=CC=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)C4=C5CCCCC5
COc1ccc(cc1)N1C(=O)C2(C@@H)(C1=O)C1C(=C3CCCCC3)C2C=C1
InChI=1SC22H23NO3c126159714(81015)2321(24)1916111217(20(19)22(23)25)18(16)135324613h71216171920H26H21H3
MFCD01187918
ZINC000100743521
ZINC000106022419

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Available files

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