Vitas-M small molecule compound
2-methylpropyl 2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK082894
SMILES CC(COC(=O)C1=C(C)NC2=C(C1c1ccc(s1)C)C(=O)CC(C2)(C)C)C
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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 C22H29NO3S MW 387.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29NO3S/c1-12(2)11-26-21(25)18-14(4)23-15-9-22(5,6)10-16(24)19(15)20(18)17-8-7-13(3)27-17/h7-8,12,20,23H,9-11H2,1-6H3InChIKey
XVBWIKKCCJZGJB-UHFFFAOYSA-NSynonyms
2methylpropyl277trimethyl4(5methylthiophen2yl)5oxo145678hexahydroquinoline3carboxylate
2methylpropyl277trimethyl4(5methylthiophen2yl)5oxo1468tetrahydroquinoline3carboxylate
CC(COC(=O)C1=C(C)NC2=C(C1c1ccc(s1)C)C(=O)CC(C2)(C)C)C
CC1=CC=C(S1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC(C)C)C
InChI=1SC22H29NO3Sc112(2)112621(25)1814(4)2315922(56)1016(24)19(15)20(18)178713(3)2717h78122023H911H216H3
MFCD02633510
STK082894
ZINC000004663802
ZINC000004663803
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