Vitas-M small molecule compound
3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407590
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)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 C25H28BrNO7S MW 566.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28BrNO7S/c1-5-35-7-6-32-25(30)20-13(3)27-16-8-12(2)19(24(29)31-4)23(28)22(16)21(20)14-9-17-18(10-15(14)26)34-11-33-17/h9-10,12,19,21,27H,5-8,11H2,1-4H3InChIKey
BBVHITNCPLTGQS-UHFFFAOYSA-NSynonyms
3(2(ethylsulfanyl)ethyl)6methyl4(6bromo13benzodioxol5yl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3O(2ethylsulfanylethyl)6Omethyl4(6bromo13benzodioxol5yl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3Br)OCO4)C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC25H28BrNO7Sc1535763225(30)2013(3)2716812(2)19(24(29)314)23(28)22(16)21(20)1491718(1015(14)26)34113317h91012192127H5811H214H3
MFCD04221608
ZINC000029747807
ZINC000097939701
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