Vitas-M small molecule compound
cyclopentyl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402826
SMILES CC(=O)Oc1ccc(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/c1-16-25(28(32)34-20-6-3-4-7-20)26(18-9-11-21(12-10-18)33-17(2)30)27-22(29-16)14-19(15-23(27)31)24-8-5-13-35-24/h5,8-13,19-20,26,29H,3-4,6-7,14-15H2,1-2H3InChIKey
YNUDRUSAHYCTBC-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=C(C=C4)OC(=O)C)C(=O)OC5CCCC5
cyclopentyl4(4(acetyloxy)phenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
cyclopentyl4(4acetyloxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC28H29NO5Sc11625(28(32)3420634720)26(1891121(121018)3317(2)30)2722(2916)1419(1523(27)31)2485133524h581319202629H34671415H212H3
MFCD03145413
ZINC000000781257
ZINC000000781260
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