Vitas-M small molecule compound

2-methoxyethyl 7-(4-chlorophenyl)-4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK085204
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)ccc1OC)C(=O)CC(C2)c1ccc(cc1)Cl

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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 C28H30ClNO6 MW 512.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30ClNO6/c1-16-25(28(32)36-12-11-33-2)26(21-15-20(34-3)9-10-24(21)35-4)27-22(30-16)13-18(14-23(27)31)17-5-7-19(29)8-6-17/h5-10,15,18,26,30H,11-14H2,1-4H3
InChIKey
HJATXWHMLKQTSN-UHFFFAOYSA-N
Synonyms
306286-86-2
2methoxyethyl7(4chlorophenyl)4(25dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2methoxyethyl7(4chlorophenyl)4(25dimethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
306286862
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=C(C=CC(=C4)OC)OC)C(=O)OCCOC
COCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)ccc1OC)C(=O)CC(C2)c1ccc(cc1)Cl
InChI=1SC28H30ClNO6c11625(28(32)361211332)26(211520(343)91024(21)354)2722(3016)1318(1423(27)31)175719(29)8617h51015182630H1114H214H3
MFCD01445655
STK085204
ZINC000002063186
ZINC000002063189

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.