Vitas-M small molecule compound
2-methoxyethyl 4-(3-methoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK077122
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)OC)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 C25H27NO5S MW 453.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO5S/c1-15-22(25(28)31-10-9-29-2)23(16-6-4-7-18(12-16)30-3)24-19(26-15)13-17(14-20(24)27)21-8-5-11-32-21/h4-8,11-12,17,23,26H,9-10,13-14H2,1-3H3InChIKey
AUHXITGJGPKVRN-UHFFFAOYSA-NSynonyms
2methoxyethyl4(3methoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2methoxyethyl4(3methoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=CC=C4)OC)C(=O)OCCOC
COCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)OC)C(=O)CC(C2)c1cccs1
InChI=1SC25H27NO5Sc11522(25(28)31109292)23(1664718(1216)303)2419(2615)1317(1420(24)27)2185113221h481112172326H9101314H213H3
MFCD02627289
STK077122
ZINC000002727175
ZINC000002727178
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