Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(3-methoxy-4-propoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402465
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCCC)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 C27H37NO5S MW 487.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37NO5S/c1-7-11-32-21-10-9-18(14-22(21)31-6)24-23(26(30)33-12-13-34-8-2)17(3)28-19-15-27(4,5)16-20(29)25(19)24/h9-10,14,24,28H,7-8,11-13,15-16H2,1-6H3InChIKey
JLGVAXXRLWBVQB-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(3methoxy4propoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(3methoxy4propoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCCOC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCCSCC)C)OC
InChI=1SC27H37NO5Sc1711322110918(1422(21)316)2423(26(30)3312133482)17(3)28191527(45)1620(29)25(19)24h910142428H7811131516H216H3
MFCD01446341
ZINC000008780588
ZINC000008780589
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