Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK095676
SMILES CSc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCC1CCCO1
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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 C23H27NO4S MW 413.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27NO4S/c1-14-20(23(26)28-13-16-5-4-12-27-16)21(15-8-10-17(29-2)11-9-15)22-18(24-14)6-3-7-19(22)25/h8-11,16,21,24H,3-7,12-13H2,1-2H3InChIKey
MRXOWRISFJEJCW-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)SC)C(=O)OCC4CCCO4
CSc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCC1CCCO1
InChI=1SC23H27NO4Sc11420(23(26)28131654122716)21(1581017(292)11915)2218(2414)63719(22)25h811162124H371213H212H3
MFCD01461851
oxolan2ylmethyl2methyl4(4methylsulfanylphenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
STK095676
tetrahydrofuran2ylmethyl2methyl4(4(methylsulfanyl)phenyl)5oxo145678hexahydroquinoline3carboxylate
ZINC000019830715
ZINC000019830720
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