Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 7-(3-methoxyphenyl)-2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK028663
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cc(cc3)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 C32H33NO6S MW 559.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33NO6S/c1-5-40-12-11-38-32(36)28-19(3)33-25-15-21(20-7-6-8-22(14-20)37-4)16-26(34)30(25)29(28)24-17-39-27-10-9-18(2)13-23(27)31(24)35/h6-10,13-14,17,21,29,33H,5,11-12,15-16H2,1-4H3InChIKey
IUPQEXNWHXYOGR-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl7(3methoxyphenyl)2methyl4(6methyl4oxo4Hchromen3yl)5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl7(3methoxyphenyl)2methyl4(6methyl4oxochromen3yl)5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cc(cc3)C)C(=O)CC(C2)c1cccc(c1)OC
CCSCCOC(=O)C1=C(NC2=C(C1C3=COC4=C(C3=O)C=C(C=C4)C)C(=O)CC(C2)C5=CC(=CC=C5)OC)C
InChI=1SC32H33NO6Sc154012113832(36)2819(3)33251521(2076822(1420)374)1626(34)30(25)29(28)2417392710918(2)1323(27)31(24)35h610131417212933H511121516H214H3
MFCD03489166
STK028663
ZINC000002762174
ZINC000002762177
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