Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 7-(3-methoxyphenyl)-2-methyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK016337
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(s1)C)C(=O)CC(C2)c1cccc(c1)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 C27H31NO4S2 MW 497.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO4S2/c1-5-33-12-11-32-27(30)24-17(3)28-21-14-19(18-7-6-8-20(13-18)31-4)15-22(29)25(21)26(24)23-10-9-16(2)34-23/h6-10,13,19,26,28H,5,11-12,14-15H2,1-4H3InChIKey
ASSLBUKUFWCBLD-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl7(3methoxyphenyl)2methyl4(5methylthiophen2yl)5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl7(3methoxyphenyl)2methyl4(5methylthiophen2yl)5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(s1)C)C(=O)CC(C2)c1cccc(c1)OC
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(S3)C)C(=O)CC(C2)C4=CC(=CC=C4)OC)C
InChI=1SC27H31NO4S2c153312113227(30)2417(3)28211419(1876820(1318)314)1522(29)25(21)26(24)2310916(2)3423h61013192628H511121415H214H3
MFCD03489246
STK016337
ZINC000002758816
ZINC000002758819
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