Vitas-M small molecule compound
propan-2-yl 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402737
SMILES COc1cc(ccc1O)C1C(=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 C25H27NO5S MW 453.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO5S/c1-13(2)31-25(29)22-14(3)26-17-10-16(21-6-5-9-32-21)11-19(28)24(17)23(22)15-7-8-18(27)20(12-15)30-4/h5-9,12-13,16,23,26-27H,10-11H2,1-4H3InChIKey
KGCPYAORQSQENU-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C=C4)O)OC)C(=O)OC(C)C
InChI=1SC25H27NO5Sc113(2)3125(29)2214(3)26171016(216593221)1119(28)24(17)23(22)157818(27)20(1215)304h59121316232627H1011H214H3
MFCD02868433
propan2yl4(4hydroxy3methoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
propan2yl4(4hydroxy3methoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
ZINC000001456558
ZINC000001456561
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