Vitas-M small molecule compound
cyclopentyl 4-(2-ethoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK079992
SMILES CCOc1ccccc1C1C(=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 C28H31NO4S MW 477.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO4S/c1-3-32-23-12-7-6-11-20(23)26-25(28(31)33-19-9-4-5-10-19)17(2)29-21-15-18(16-22(30)27(21)26)24-13-8-14-34-24/h6-8,11-14,18-19,26,29H,3-5,9-10,15-16H2,1-2H3InChIKey
VYDGABXILLTDJM-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OC5CCCC5)C
CCOc1ccccc1C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OC1CCCC1
cyclopentyl4(2ethoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
cyclopentyl4(2ethoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC28H31NO4Sc13322312761120(23)2625(28(31)33199451019)17(2)29211518(1622(30)27(21)26)24138143424h68111418192629H359101516H212H3
MFCD02627301
STK079992
ZINC000009635829
ZINC000009635832
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