Vitas-M small molecule compound
2-phenylethyl 4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK048779
SMILES COc1ccc(c(c1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCCc1ccccc1)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 C27H29NO5 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO5/c1-17-24(27(30)33-15-14-18-8-5-4-6-9-18)25(26-21(28-17)10-7-11-22(26)29)20-16-19(31-2)12-13-23(20)32-3/h4-6,8-9,12-13,16,25,28H,7,10-11,14-15H2,1-3H3InChIKey
FMLJYCUFSARECD-UHFFFAOYSA-NSynonyms
2phenylethyl4(25dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl4(25dimethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=C(C=CC(=C3)OC)OC)C(=O)OCCC4=CC=CC=C4
COc1ccc(c(c1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCCc1ccccc1)OC
InChI=1SC27H29NO5c11724(27(30)331514188546918)25(2621(2817)1071122(26)29)201619(312)121323(20)323h46891213162528H710111415H213H3
MFCD02188080
STK048779
ZINC000000969326
ZINC000000969327
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