Vitas-M small molecule compound
methyl 2-methyl-5-oxo-4-(3-phenoxyphenyl)-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK064108
SMILES COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)Oc1ccccc1)C(=O)CC(C2)c1cccs1
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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 C28H25NO4S MW 471.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25NO4S/c1-17-25(28(31)32-2)26(18-8-6-11-21(14-18)33-20-9-4-3-5-10-20)27-22(29-17)15-19(16-23(27)30)24-12-7-13-34-24/h3-14,19,26,29H,15-16H2,1-2H3InChIKey
DMLKDQFVGGTHFZ-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=CC=C4)OC5=CC=CC=C5)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)Oc1ccccc1)C(=O)CC(C2)c1cccs1
InChI=1SC28H25NO4Sc11725(28(31)322)26(18861121(1418)332094351020)2722(2917)1519(1623(27)30)24127133424h314192629H1516H212H3
methyl2methyl5oxo4(3phenoxyphenyl)7(thiophen2yl)145678hexahydroquinoline3carboxylate
methyl2methyl5oxo4(3phenoxyphenyl)7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
MFCD02188152
STK064108
ZINC000019831392
ZINC000019831402
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