Vitas-M small molecule compound
propan-2-yl 4-(2,3-dichlorophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK097811
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1Cl)Cl)C(=O)OC(C)C)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 C28H29Cl2NO5 MW 530.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29Cl2NO5/c1-14(2)36-28(33)24-15(3)31-20-11-17(16-9-10-22(34-4)23(13-16)35-5)12-21(32)26(20)25(24)18-7-6-8-19(29)27(18)30/h6-10,13-14,17,25,31H,11-12H2,1-5H3InChIKey
HUOSEOAAZFUXFK-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C4=C(C(=CC=C4)Cl)Cl)C(=O)OC(C)C
COc1ccc(cc1OC)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1Cl)Cl)C(=O)OC(C)C)C
InChI=1SC28H29Cl2NO5c114(2)3628(33)2415(3)31201117(1691022(344)23(1316)355)1221(32)26(20)25(24)1876819(29)27(18)30h6101314172531H1112H215H3
MFCD02224238
propan2yl4(23dichlorophenyl)7(34dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(23dichlorophenyl)7(34dimethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK097811
ZINC000000863461
ZINC000000863464
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