Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363615
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OCC)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 C25H33NO4S MW 443.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33NO4S/c1-6-29-20-11-9-8-10-17(20)22-21(24(28)30-12-13-31-7-2)16(3)26-18-14-25(4,5)15-19(27)23(18)22/h8-11,22,26H,6-7,12-15H2,1-5H3InChIKey
PZCGQZHVNMKSPW-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(2ethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(2ethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCOC1=CC=CC=C1C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCCSCC)C
InChI=1SC25H33NO4Sc16292011981017(20)2221(24(28)3012133172)16(3)26181425(45)1519(27)23(18)22h8112226H671215H215H3
MFCD01445736
ZINC000004067873
ZINC000004067874
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