Vitas-M small molecule compound
methyl 4-(2-butoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK405349
SMILES CCCCOc1ccccc1C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OC
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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 C26H29NO4S MW 451.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO4S/c1-4-5-12-31-21-10-7-6-9-18(21)24-23(26(29)30-3)16(2)27-19-14-17(15-20(28)25(19)24)22-11-8-13-32-22/h6-11,13,17,24,27H,4-5,12,14-15H2,1-3H3InChIKey
HCILPYIMPFJEKG-UHFFFAOYSA-NSynonyms
CCCCOC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OC)C
InChI=1SC26H29NO4Sc1451231211076918(21)2423(26(29)303)16(2)27191417(1520(28)25(19)24)22118133222h61113172427H45121415H213H3
methyl4(2butoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
methyl4(2butoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
MFCD03999952
ZINC000016286233
ZINC000016286239
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