Vitas-M small molecule compound
2-(5-acetyl-2-methoxyphenyl)-8-(propan-2-ylidene)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STK258081
SMILES COc1ccc(cc1N1C(=O)C2C(C1=O)C1C(=C(C)C)C2C=C1)C(=O)C
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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 C21H21NO4 MW 351.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO4/c1-10(2)17-13-6-7-14(17)19-18(13)20(24)22(21(19)25)15-9-12(11(3)23)5-8-16(15)26-4/h5-9,13-14,18-19H,1-4H3InChIKey
QJFBYVSVWXVXQD-UHFFFAOYSA-NSynonyms
2(5acetyl2methoxyphenyl)8(propan2ylidene)3a477atetrahydro1H47methanoisoindole13(2H)dione
CC(=C1C2C=CC1C3C2C(=O)N(C3=O)C4=C(C=CC(=C4)C(=O)C)OC)C
InChI=1SC21H21NO4c110(2)17136714(17)1918(13)20(24)22(21(19)25)15912(11(3)23)5816(15)264h5913141819H14H3
MFCD01802283
ZINC000100081837
ZINC000101360447
Check stock
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Check stock on Vitas-MAvailable files
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