Vitas-M small molecule compound
methyl 4-{4-[(3-chlorobenzyl)oxy]-3-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL173068
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCc1cccc(c1)Cl)C(=O)CCC2
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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 C26H26ClNO5 MW 467.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClNO5/c1-15-23(26(30)32-3)24(25-19(28-15)8-5-9-20(25)29)17-10-11-21(22(13-17)31-2)33-14-16-6-4-7-18(27)12-16/h4,6-7,10-13,24,28H,5,8-9,14H2,1-3H3InChIKey
RRQCVCDTEKXGHI-UHFFFAOYSA-NSynonyms
335402-78-3335402783
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OCC4=CC(=CC=C4)Cl)OC)C(=O)OC
InChI=1SC26H26ClNO5c11523(26(30)323)24(2519(2815)85920(25)29)17101121(22(1317)312)33141664718(27)1216h46710132428H58914H213H3
methyl4(4((3chlorobenzyl)oxy)3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(4((3chlorophenyl)methoxy)3methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD02175237
ZINC000000870822
ZINC000000870823
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