Vitas-M small molecule compound
cyclopentyl 4-(3-hydroxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK072295
SMILES Oc1cccc(c1)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 C26H27NO4S MW 449.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO4S/c1-15-23(26(30)31-19-8-2-3-9-19)24(16-6-4-7-18(28)12-16)25-20(27-15)13-17(14-21(25)29)22-10-5-11-32-22/h4-7,10-12,17,19,24,27-28H,2-3,8-9,13-14H2,1H3InChIKey
CTKAJFWUYWTFMS-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=CC=C4)O)C(=O)OC5CCCC5
cyclopentyl4(3hydroxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
cyclopentyl4(3hydroxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC26H27NO4Sc11523(26(30)3119823919)24(1664718(28)1216)2520(2715)1317(1421(25)29)22105113222h4710121719242728H23891314H21H3
MFCD02868500
Oc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OC1CCCC1
STK072295
ZINC000000781242
ZINC000100127305
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