Vitas-M small molecule compound
methyl 3-(2,5-dimethylphenyl)-3-{[2-(4-fluorobenzyl)-3-oxo-2,3,4,5,6,7-hexahydro-1H-isoindol-1-yl]amino}propanoate
Catalog ID
STK011129
SMILES COC(=O)CC(c1cc(C)ccc1C)NC1N(Cc2ccc(cc2)F)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 C27H31FN2O3 MW 450.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31FN2O3/c1-17-8-9-18(2)23(14-17)24(15-25(31)33-3)29-26-21-6-4-5-7-22(21)27(32)30(26)16-19-10-12-20(28)13-11-19/h8-14,24,26,29H,4-7,15-16H2,1-3H3InChIKey
PAWCIKBHIKJGMS-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)C)C(CC(=O)OC)NC2C3=C(CCCC3)C(=O)N2CC4=CC=C(C=C4)F
COC(=O)CC(c1cc(C)ccc1C)NC1N(Cc2ccc(cc2)F)C(=O)C2=C1CCCC2
InChI=1SC27H31FN2O3c1178918(2)23(1417)24(1525(31)333)292621645722(21)27(32)30(26)1619101220(28)131119h814242629H471516H213H3
methyl3(25dimethylphenyl)3((2((4fluorophenyl)methyl)3oxo4567tetrahydro1Hisoindol1yl)amino)propanoate
methyl3(25dimethylphenyl)3((2(4fluorobenzyl)3oxo234567hexahydro1Hisoindol1yl)amino)propanoate
MFCD11850925
STK011129
ZINC000019799726
ZINC000019799730
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