Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(2-fluorophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK014304
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1F)C(=O)CC(C2)c1ccc(cc1)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 C28H30FNO4S MW 495.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30FNO4S/c1-4-35-14-13-34-28(32)25-17(2)30-23-15-19(18-9-11-20(33-3)12-10-18)16-24(31)27(23)26(25)21-7-5-6-8-22(21)29/h5-12,19,26,30H,4,13-16H2,1-3H3InChIKey
XNDIAJUPNYILCA-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(2fluorophenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(2fluorophenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1F)C(=O)CC(C2)c1ccc(cc1)OC
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3F)C(=O)CC(C2)C4=CC=C(C=C4)OC)C
InChI=1SC28H30FNO4Sc143514133428(32)2517(2)30231519(1891120(333)121018)1624(31)27(23)26(25)21756822(21)29h512192630H41316H213H3
MFCD02375950
STK014304
ZINC000002775563
ZINC000002775566
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