Vitas-M small molecule compound
benzyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402986
SMILES COc1cccc(c1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCc1ccccc1
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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 C30H29NO5S MW 515.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29NO5S/c1-18-26(30(33)36-17-19-9-5-4-6-10-19)27(21-11-7-12-24(34-2)29(21)35-3)28-22(31-18)15-20(16-23(28)32)25-13-8-14-37-25/h4-14,20,27,31H,15-17H2,1-3H3InChIKey
KGOQSHVMWDEQGR-UHFFFAOYSA-NSynonyms
benzyl4(23dimethoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
benzyl4(23dimethoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=C(C(=CC=C4)OC)OC)C(=O)OCC5=CC=CC=C5
InChI=1SC30H29NO5Sc11826(30(33)36171995461019)27(211171224(342)29(21)353)2822(3118)1520(1623(28)32)25138143725h414202731H1517H213H3
MFCD03371009
ZINC000001431243
ZINC000001431246
ZINC01431244
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