Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 7-(furan-2-yl)-2-methyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406133
SMILES Cc1ccc(s1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccco1)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/c1-14-7-8-21(32-14)24-22(25(28)31-13-17-5-3-9-29-17)15(2)26-18-11-16(12-19(27)23(18)24)20-6-4-10-30-20/h4,6-8,10,16-17,24,26H,3,5,9,11-13H2,1-2H3InChIKey
ZDUZBXYOAWGGAR-UHFFFAOYSA-NSynonyms
CC1=CC=C(S1)C2C3=C(CC(CC3=O)C4=CC=CO4)NC(=C2C(=O)OCC5CCCO5)C
InChI=1SC25H27NO5Sc1147821(3214)2422(25(28)3113175392917)15(2)26181116(1219(27)23(18)24)2064103020h4681016172426H3591113H212H3
MFCD05987009
oxolan2ylmethyl7(furan2yl)2methyl4(5methylthiophen2yl)5oxo4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl7(furan2yl)2methyl4(5methylthiophen2yl)5oxo145678hexahydroquinoline3carboxylate
ZINC000004622162
ZINC000036007464
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