Vitas-M small molecule compound
methyl 3-(2-ethylphenyl)-3-{[3-oxo-2-(4-phenylbutan-2-yl)-2,3,4,5,6,7-hexahydro-1H-isoindol-1-yl]amino}propanoate
Catalog ID
STK057547
SMILES COC(=O)CC(c1ccccc1CC)NC1N(C(CCc2ccccc2)C)C(=O)C2=C1CCCC2
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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 C30H38N2O3 MW 474.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N2O3/c1-4-23-14-8-9-15-24(23)27(20-28(33)35-3)31-29-25-16-10-11-17-26(25)30(34)32(29)21(2)18-19-22-12-6-5-7-13-22/h5-9,12-15,21,27,29,31H,4,10-11,16-20H2,1-3H3InChIKey
AAQWUXAIKSJXNF-UHFFFAOYSA-NSynonyms
CCC1=CC=CC=C1C(CC(=O)OC)NC2C3=C(CCCC3)C(=O)N2C(C)CCC4=CC=CC=C4
COC(=O)CC(c1ccccc1CC)NC1N(C(CCc2ccccc2)C)C(=O)C2=C1CCCC2
InChI=1SC30H38N2O3c142314891524(23)27(2028(33)353)3129251610111726(25)30(34)32(29)21(2)181922126571322h59121521272931H410111620H213H3
methyl3(2ethylphenyl)3((3oxo2(4phenylbutan2yl)234567hexahydro1Hisoindol1yl)amino)propanoate
methyl3(2ethylphenyl)3((3oxo2(4phenylbutan2yl)4567tetrahydro1Hisoindol1yl)amino)propanoate
MFCD11851042
STK057547
ZINC000023467583
ZINC000103204082
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