Vitas-M small molecule compound
propan-2-yl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK052095
SMILES CC(OC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)N(C)C)C(=O)CC(C2)c1ccc(cc1)Cl)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 C28H31ClN2O3 MW 479.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31ClN2O3/c1-16(2)34-28(33)25-17(3)30-23-14-20(18-6-10-21(29)11-7-18)15-24(32)27(23)26(25)19-8-12-22(13-9-19)31(4)5/h6-13,16,20,26,30H,14-15H2,1-5H3InChIKey
UNLLQFCMDQONBZ-UHFFFAOYSA-NSynonyms
CC(OC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)N(C)C)C(=O)CC(C2)c1ccc(cc1)Cl)C
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)N(C)C)C(=O)OC(C)C
InChI=1SC28H31ClN2O3c116(2)3428(33)2517(3)30231420(1861021(29)11718)1524(32)27(23)26(25)1981222(13919)31(4)5h61316202630H1415H215H3
MFCD01590143
propan2yl7(4chlorophenyl)4(4(dimethylamino)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl7(4chlorophenyl)4(4(dimethylamino)phenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK052095
ZINC000001082122
ZINC000001082125
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