Vitas-M small molecule compound
dimethyl 4-(2-ethoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK776036
SMILES CCOc1ccccc1C1C(=C(C)NC2=C1C(=O)C(C(C2)c1cccs1)C(=O)OC)C(=O)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 C26H27NO6S MW 481.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO6S/c1-5-33-18-10-7-6-9-15(18)21-20(25(29)31-3)14(2)27-17-13-16(19-11-8-12-34-19)22(26(30)32-4)24(28)23(17)21/h6-12,16,21-22,27H,5,13H2,1-4H3InChIKey
NWHQRVOUICCRFL-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC=C1C2C3=C(CC(C(C3=O)C(=O)OC)C4=CC=CS4)NC(=C2C(=O)OC)C
dimethyl4(2ethoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline36dicarboxylate
dimethyl4(2ethoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline36dicarboxylate
InChI=1SC26H27NO6Sc1533181076915(18)2120(25(29)313)14(2)27171316(19118123419)22(26(30)324)24(28)23(17)21h61216212227H513H214H3
MFCD05258405
ZINC000012412435
ZINC000103011288
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