Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(4-fluorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK009636
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)F)C(=O)CC(C2)c1ccccc1OC
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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)30-22-15-19(21-7-5-6-8-24(21)33-3)16-23(31)27(22)26(25)18-9-11-20(29)12-10-18/h5-12,19,26,30H,4,13-16H2,1-3H3InChIKey
XMNDGVPJQGFNLI-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(4fluorophenyl)7(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(4fluorophenyl)7(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)F)C(=O)CC(C2)c1ccccc1OC
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)F)C(=O)CC(C2)C4=CC=CC=C4OC)C
InChI=1SC28H30FNO4Sc143514133428(32)2517(2)30221519(21756824(21)333)1623(31)27(22)26(25)1891120(29)121018h512192630H41316H213H3
MFCD03312444
STK009636
ZINC000002758827
ZINC000002758830
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