Vitas-M small molecule compound
8-cyclohexylidene-2-(3-methoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STK825617
SMILES COc1cccc(c1)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/c1-26-15-9-5-8-14(12-15)23-21(24)19-16-10-11-17(20(19)22(23)25)18(16)13-6-3-2-4-7-13/h5,8-12,16-17,19-20H,2-4,6-7H2,1H3InChIKey
GZQKRINTNABBQA-UHFFFAOYSA-NSynonyms
(3AR4R7R7AS)8CYCLOHEXYLIDENE2(3METHOXYPHENYL)3A477ATETRAHYDRO1H47METHANOISOINDOLE13(2H)DIONE
(3aR4R7S7aS)8cyclohexylidene2(3methoxyphenyl)3a477atetrahydro1H47methanoisoindole13(2H)dione
8cyclohexylidene2(3methoxyphenyl)3a477atetrahydro1H47methanoisoindole13(2H)dione
COC1=CC=CC(=C1)N2C(=O)C3C4C=CC(C3C2=O)C4=C5CCCCC5
COc1cccc(c1)N1C(=O)C2(C@@H)(C1=O)C1C(=C3CCCCC3)C2C=C1
InChI=1SC22H23NO3c1261595814(1215)2321(24)1916101117(20(19)22(23)25)18(16)136324713h581216171920H2467H21H3
MFCD01188357
ZINC000100734882
ZINC000101863581
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