Vitas-M small molecule compound
3-ethyl 6-methyl 4-(2-butoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407480
SMILES CCCCOc1ccccc1C1C(=C(C)NC2=C1C(=O)C(C(C2)C)C(=O)OC)C(=O)OCC
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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 C26H33NO6 MW 455.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO6/c1-6-8-13-33-19-12-10-9-11-17(19)22-21(26(30)32-7-2)16(4)27-18-14-15(3)20(25(29)31-5)24(28)23(18)22/h9-12,15,20,22,27H,6-8,13-14H2,1-5H3InChIKey
SYWFTAAQABFFJS-UHFFFAOYSA-NSynonyms
3ethyl6methyl4(2butoxyphenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3Oethyl6Omethyl4(2butoxyphenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCCCOC1=CC=CC=C1C2C3=C(CC(C(C3=O)C(=O)OC)C)NC(=C2C(=O)OCC)C
InChI=1SC26H33NO6c168133319121091117(19)2221(26(30)3272)16(4)27181415(3)20(25(29)315)24(28)23(18)22h91215202227H681314H215H3
MFCD04057129
ZINC000009672918
ZINC000102554651
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