Vitas-M small molecule compound
benzyl 4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403011
SMILES COc1ccc(c(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCc1ccccc1)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 C30H29NO5S MW 515.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29NO5S/c1-18-27(30(33)36-17-19-8-5-4-6-9-19)28(22-16-21(34-2)11-12-25(22)35-3)29-23(31-18)14-20(15-24(29)32)26-10-7-13-37-26/h4-13,16,20,28,31H,14-15,17H2,1-3H3InChIKey
PWTDAXFHAJKGCW-UHFFFAOYSA-NSynonyms
benzyl4(25dimethoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
benzyl4(25dimethoxyphenyl)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=1SC30H29NO5Sc11827(30(33)3617198546919)28(221621(342)111225(22)353)2923(3118)1420(1524(29)32)26107133726h41316202831H141517H213H3
MFCD03371026
ZINC000001431247
ZINC000001431250
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