Vitas-M small molecule compound
cyclopentyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK048392
SMILES Cc1ccc(o1)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 C25H27NO4S MW 437.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO4S/c1-14-9-10-20(29-14)24-22(25(28)30-17-6-3-4-7-17)15(2)26-18-12-16(13-19(27)23(18)24)21-8-5-11-31-21/h5,8-11,16-17,24,26H,3-4,6-7,12-13H2,1-2H3InChIKey
RJURTOCYQLFIPM-UHFFFAOYSA-NSynonyms
CC1=CC=C(O1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OC5CCCC5)C
Cc1ccc(o1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OC1CCCC1
cyclopentyl2methyl4(5methylfuran2yl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
cyclopentyl2methyl4(5methylfuran2yl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC25H27NO4Sc11491020(2914)2422(25(28)3017634717)15(2)26181216(1319(27)23(18)24)2185113121h581116172426H34671213H212H3
MFCD02627341
STK048392
ZINC000008856902
ZINC000008857451
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