Vitas-M small molecule compound
pentyl 4-(2,3-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372618
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1OC)OC)C(=O)CC(C2)(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 C26H35NO5 MW 441.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35NO5/c1-7-8-9-13-32-25(29)21-16(2)27-18-14-26(3,4)15-19(28)23(18)22(21)17-11-10-12-20(30-5)24(17)31-6/h10-12,22,27H,7-9,13-15H2,1-6H3InChIKey
NLLFPOVFGPSXNB-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)C1=C(NC2=C(C1C3=C(C(=CC=C3)OC)OC)C(=O)CC(C2)(C)C)C
InChI=1SC26H35NO5c1789133225(29)2116(2)27181426(34)1519(28)23(18)22(21)1711101220(305)24(17)316h10122227H791315H216H3
MFCD00753311
pentyl4(23dimethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
pentyl4(23dimethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
ZINC000003094439
ZINC000003094440
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