Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK377603
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1ccc(cc1)OC
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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 C29H31NO6S MW 521.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO6S/c1-4-37-12-11-34-29(32)26-17(2)30-22-13-20(18-5-8-21(33-3)9-6-18)14-23(31)28(22)27(26)19-7-10-24-25(15-19)36-16-35-24/h5-10,15,20,27,30H,4,11-14,16H2,1-3H3InChIKey
MXISCYOVXLPUPA-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CC(C2)C5=CC=C(C=C5)OC)C
InChI=1SC29H31NO6Sc143712113429(32)2617(2)30221320(185821(333)9618)1423(31)28(22)27(26)197102425(1519)36163524h51015202730H4111416H213H3
MFCD01571931
ZINC000002925594
ZINC000002925609
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