Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-[4-(methoxycarbonyl)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK084177
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C(=O)OC)C(=O)CC(C2)(C)C
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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 C25H31NO5S MW 457.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO5S/c1-6-32-12-11-31-24(29)20-15(2)26-18-13-25(3,4)14-19(27)22(18)21(20)16-7-9-17(10-8-16)23(28)30-5/h7-10,21,26H,6,11-14H2,1-5H3InChIKey
POZVQQSIYCEOHO-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(4(methoxycarbonyl)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(4methoxycarbonylphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C(=O)OC)C(=O)CC(C2)(C)C
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C(=O)OC)C(=O)CC(C2)(C)C)C
InChI=1SC25H31NO5Sc163212113124(29)2015(2)26181325(34)1419(27)22(18)21(20)167917(10816)23(28)305h7102126H61114H215H3
MFCD02375941
STK084177
ZINC000002775299
ZINC000002775300
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