Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 2-methyl-5-oxo-7-(thiophen-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK050732
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)OC)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 C28H33NO6S2 MW 543.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33NO6S2/c1-6-36-11-9-35-28(31)24-16(2)29-19-12-17(23-8-7-10-37-23)13-20(30)26(19)25(24)18-14-21(32-3)27(34-5)22(15-18)33-4/h7-8,10,14-15,17,25,29H,6,9,11-13H2,1-5H3InChIKey
XONFDYSQCBYZTJ-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl2methyl5oxo7(thiophen2yl)4(345trimethoxyphenyl)145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl2methyl5oxo7thiophen2yl4(345trimethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)CC(C2)c1cccs1
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)OC)OC)OC)C(=O)CC(C2)C4=CC=CS4)C
InChI=1SC28H33NO6S2c16361193528(31)2416(2)29191217(2387103723)1320(30)26(19)25(24)181421(323)27(345)22(1518)334h78101415172529H691113H215H3
MFCD02627336
STK050732
ZINC000002190925
ZINC000002190928
ZINC02190925
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