Vitas-M small molecule compound
methyl N-{[1-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinolin-3-yl]carbonyl}phenylalaninate
Catalog ID
STK835530
SMILES COC(=O)C(NC(=O)c1cc2C(=O)CC(Cc2n(c1=O)c1ccc(cc1)Cl)(C)C)Cc1ccccc1
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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 C28H27ClN2O5 MW 506.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClN2O5/c1-28(2)15-23-20(24(32)16-28)14-21(26(34)31(23)19-11-9-18(29)10-12-19)25(33)30-22(27(35)36-3)13-17-7-5-4-6-8-17/h4-12,14,22H,13,15-16H2,1-3H3,(H,30,33)InChIKey
DLKCDTRIHWTPGD-UHFFFAOYSA-NSynonyms
CC1(CC2=C(C=C(C(=O)N2C3=CC=C(C=C3)Cl)C(=O)NC(CC4=CC=CC=C4)C(=O)OC)C(=O)C1)C
COC(=O)C(NC(=O)c1cc2C(=O)CC(Cc2n(c1=O)c1ccc(cc1)Cl)(C)C)Cc1ccccc1Cl
InChI=1SC28H27ClN2O5c128(2)152320(24(32)1628)1421(26(34)31(23)1911918(29)101219)25(33)3022(27(35)363)13177546817h4121422H131516H213H3(H3033)
METHYL2((1(4CHLOROPHENYL)77DIMETHYL25DIOXO68DIHYDROQUINOLINE3CARBONYL)AMINO)3PHENYLPROPANOATE
methyl2(1(4chlorophenyl)77dimethyl25dioxo125678hexahydroquinoline3carboxamido)3phenylpropanoatehydrochloride
methylN((1(4chlorophenyl)77dimethyl25dioxo125678hexahydroquinolin3yl)carbonyl)phenylalaninate
MFCD02241728
ZINC000001149774
ZINC000001149777
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