Vitas-M small molecule compound
1-methyl-4-[(2E)-3-(4-methylphenyl)prop-2-enoyl]-5,6,7,8-tetrahydroisoquinolin-3(2H)-one
Catalog ID
STK962882
SMILES Cc1ccc(cc1)/C=C/C(=O)c1c(=O)[nH]c(c2c1CCCC2)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 C20H21NO2 MW 307.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO2/c1-13-7-9-15(10-8-13)11-12-18(22)19-17-6-4-3-5-16(17)14(2)21-20(19)23/h7-12H,3-6H2,1-2H3,(H,21,23)/b12-11+InChIKey
QKTWLVKWSCAREW-VAWYXSNFSA-NSynonyms
1methyl4((2E)3(4methylphenyl)prop2enoyl)5678tetrahydroisoquinolin3(2H)one
1methyl4((E)3(4methylphenyl)prop2enoyl)5678tetrahydro2Hisoquinolin3one
CC1=CC=C(C=C1)C=CC(=O)C2=C3CCCCC3=C(NC2=O)C
Cc1ccc(cc1)C=CC(=O)c1c(=O)(nH)c(c2c1CCCC2)C
InChI=1SC20H21NO2c1137915(10813)111218(22)1917643516(17)14(2)2120(19)23h712H36H212H3(H2123)b1211+
MFCD00815902
ZINC000004009487
ZINC04009487
ZINC4009487
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