Vitas-M small molecule compound
propan-2-yl 4-(2-methoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK407303
SMILES COc1ccccc1C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OC(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 C25H27NO4S MW 437.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO4S/c1-14(2)30-25(28)22-15(3)26-18-12-16(21-10-7-11-31-21)13-19(27)24(18)23(22)17-8-5-6-9-20(17)29-4/h5-11,14,16,23,26H,12-13H2,1-4H3InChIKey
UZUXXFJQRCTHNQ-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=CC=C4OC)C(=O)OC(C)C
InChI=1SC25H27NO4Sc114(2)3025(28)2215(3)26181216(21107113121)1319(27)24(18)23(22)17856920(17)294h51114162326H1213H214H3
MFCD02627244
propan2yl4(2methoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
propan2yl4(2methoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
ZINC000000717695
ZINC000000717698
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