Vitas-M small molecule compound
cyclopentyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402801
SMILES CCOc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OC1CCCC1
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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 C28H31NO5S MW 493.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO5S/c1-3-33-23-15-17(10-11-21(23)30)26-25(28(32)34-19-7-4-5-8-19)16(2)29-20-13-18(14-22(31)27(20)26)24-9-6-12-35-24/h6,9-12,15,18-19,26,29-30H,3-5,7-8,13-14H2,1-2H3InChIKey
QXKYIXVIMGBPGK-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OC5CCCC5)C)O
cyclopentyl4(3ethoxy4hydroxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
cyclopentyl4(3ethoxy4hydroxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC28H31NO5Sc1333231517(101121(23)30)2625(28(32)3419745819)16(2)29201318(1422(31)27(20)26)2496123524h6912151819262930H35781314H212H3
MFCD02868513
ZINC000006195966
ZINC000006196069
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