Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402838
SMILES Cc1ccc(o1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCC1CCCO1
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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 C25H27NO5S MW 453.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO5S/c1-14-7-8-20(31-14)24-22(25(28)30-13-17-5-3-9-29-17)15(2)26-18-11-16(12-19(27)23(18)24)21-6-4-10-32-21/h4,6-8,10,16-17,24,26H,3,5,9,11-13H2,1-2H3InChIKey
ZJFYJJTZRREDJL-UHFFFAOYSA-NSynonyms
CC1=CC=C(O1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OCC5CCCO5)C
InChI=1SC25H27NO5Sc1147820(3114)2422(25(28)3013175392917)15(2)26181116(1219(27)23(18)24)2164103221h4681016172426H3591113H212H3
MFCD03036713
oxolan2ylmethyl2methyl4(5methylfuran2yl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl2methyl4(5methylfuran2yl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
ZINC000008846399
ZINC000008846402
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