Vitas-M small molecule compound
dimethyl 4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK776127
SMILES COc1ccc(c(c1)C1C(=C(C)NC2=C1C(=O)C(C(C2)c1cccs1)C(=O)OC)C(=O)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 C26H27NO7S MW 497.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO7S/c1-13-20(25(29)33-4)21(15-11-14(31-2)8-9-18(15)32-3)23-17(27-13)12-16(19-7-6-10-35-19)22(24(23)28)26(30)34-5/h6-11,16,21-22,27H,12H2,1-5H3InChIKey
AYEJPDFKNCGRBC-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(C(C2=O)C(=O)OC)C3=CC=CS3)C4=C(C=CC(=C4)OC)OC)C(=O)OC
dimethyl4(25dimethoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline36dicarboxylate
dimethyl4(25dimethoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline36dicarboxylate
InChI=1SC26H27NO7Sc11320(25(29)334)21(151114(312)8918(15)323)2317(2713)1216(1976103519)22(24(23)28)26(30)345h61116212227H12H215H3
MFCD05258529
ZINC000019857963
ZINC000217604884
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