Vitas-M small molecule compound
3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(1,3-benzodioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407521
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)C(C(C2)C)C(=O)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 C25H29NO7S MW 487.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO7S/c1-5-34-9-8-31-25(29)20-14(3)26-16-10-13(2)19(24(28)30-4)23(27)22(16)21(20)15-6-7-17-18(11-15)33-12-32-17/h6-7,11,13,19,21,26H,5,8-10,12H2,1-4H3InChIKey
VKVWMLFDDZENDF-UHFFFAOYSA-NSynonyms
3(2(ethylsulfanyl)ethyl)6methyl4(13benzodioxol5yl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3O(2ethylsulfanylethyl)6Omethyl4(13benzodioxol5yl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC25H29NO7Sc1534983125(29)2014(3)26161013(2)19(24(28)304)23(27)22(16)21(20)15671718(1115)33123217h671113192126H581012H214H3
MFCD04057170
ZINC000020190703
ZINC000033695250
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