Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK098305
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CCC2
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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 C22H24BrNO5S MW 494.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24BrNO5S/c1-3-30-8-7-27-22(26)19-12(2)24-15-5-4-6-16(25)21(15)20(19)13-9-17-18(10-14(13)23)29-11-28-17/h9-10,20,24H,3-8,11H2,1-2H3InChIKey
LDZVTZLZSOIBCS-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(6bromo13benzodioxol5yl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(6bromo13benzodioxol5yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CCC2
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3Br)OCO4)C(=O)CCC2)C
InChI=1SC22H24BrNO5Sc1330872722(26)1912(2)241554616(25)21(15)20(19)1391718(1014(13)23)29112817h9102024H3811H212H3
MFCD01571912
STK098305
ZINC000002185601
ZINC000002185602
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