Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK076741
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C(=O)OC)C(=O)CC(C2)c1cccs1
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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 C27H29NO5S2 MW 511.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO5S2/c1-4-34-13-11-33-27(31)23-16(2)28-20-14-19(22-6-5-12-35-22)15-21(29)25(20)24(23)17-7-9-18(10-8-17)26(30)32-3/h5-10,12,19,24,28H,4,11,13-15H2,1-3H3InChIKey
IUGXEQSYTBOJHE-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(4(methoxycarbonyl)phenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(4methoxycarbonylphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C(=O)OC)C(=O)CC(C2)c1cccs1
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C(=O)OC)C(=O)CC(C2)C4=CC=CS4)C
InChI=1SC27H29NO5S2c143413113327(31)2316(2)28201419(2265123522)1521(29)25(20)24(23)177918(10817)26(30)323h51012192428H4111315H213H3
MFCD03489344
STK076741
ZINC000003640149
ZINC000003640160
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