Vitas-M small molecule compound
cyclopentyl 4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403091
SMILES COC(=O)c1ccc(cc1)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 C28H29NO5S MW 491.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO5S/c1-16-24(28(32)34-20-6-3-4-7-20)25(17-9-11-18(12-10-17)27(31)33-2)26-21(29-16)14-19(15-22(26)30)23-8-5-13-35-23/h5,8-13,19-20,25,29H,3-4,6-7,14-15H2,1-2H3InChIKey
QIWBJYWIZPRIQA-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=C(C=C4)C(=O)OC)C(=O)OC5CCCC5
cyclopentyl4(4(methoxycarbonyl)phenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
cyclopentyl4(4methoxycarbonylphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC28H29NO5Sc11624(28(32)3420634720)25(1791118(121017)27(31)332)2621(2916)1419(1522(26)30)2385133523h581319202529H34671415H212H3
MFCD03146491
ZINC000019972796
ZINC000019972799
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