Vitas-M small molecule compound
methyl 4-(2,4-dichlorophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK003828
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1Cl)Cl)C(=O)CC(C2)c1ccc(c(c1)OC)OC
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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 C26H25Cl2NO5 MW 502.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25Cl2NO5/c1-13-23(26(31)34-4)24(17-7-6-16(27)12-18(17)28)25-19(29-13)9-15(10-20(25)30)14-5-8-21(32-2)22(11-14)33-3/h5-8,11-12,15,24,29H,9-10H2,1-4H3InChIKey
NNCIYBVLMPEWSO-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C4=C(C=C(C=C4)Cl)Cl)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1Cl)Cl)C(=O)CC(C2)c1ccc(c(c1)OC)OC
InChI=1SC26H25Cl2NO5c11323(26(31)344)24(177616(27)1218(17)28)2519(2913)915(1020(25)30)145821(322)22(1114)333h581112152429H910H214H3
methyl4(24dichlorophenyl)7(34dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(24dichlorophenyl)7(34dimethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD02224257
STK003828
ZINC000000863486
ZINC000000863489
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