Vitas-M small molecule compound
butan-2-yl 2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK058185
SMILES CCC(OC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)SC)C(=O)CCC2)C
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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 C22H27NO3S MW 385.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO3S/c1-5-13(2)26-22(25)19-14(3)23-17-7-6-8-18(24)21(17)20(19)15-9-11-16(27-4)12-10-15/h9-13,20,23H,5-8H2,1-4H3InChIKey
FAYAZYOTHWAQFX-UHFFFAOYSA-NSynonyms
347312-83-8347312838
butan2yl2methyl4(4(methylsulfanyl)phenyl)5oxo145678hexahydroquinoline3carboxylate
butan2yl2methyl4(4methylsulfanylphenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)SC)C(=O)CCC2)C
CCC(OC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)SC)C(=O)CCC2)C
InChI=1SC22H27NO3Sc1513(2)2622(25)1914(3)231776818(24)21(17)20(19)1591116(274)121015h9132023H58H214H3
MFCD02188005
STK058185
ZINC000019772440
ZINC000019772446
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