Vitas-M small molecule compound
2-methylpropyl 4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL434793
SMILES COc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCC(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 C25H33NO5 MW 427.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33NO5/c1-14(2)13-31-24(28)21-15(3)26-17-11-25(4,5)12-18(27)23(17)22(21)16-8-9-19(29-6)20(10-16)30-7/h8-10,14,22,26H,11-13H2,1-7H3InChIKey
XMBAVTARULETSF-UHFFFAOYSA-NSynonyms
2methylpropyl4(34dimethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2methylpropyl4(34dimethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)OC)C(=O)OCC(C)C
InChI=1SC25H33NO5c114(2)133124(28)2115(3)26171125(45)1218(27)23(17)22(21)168919(296)20(1016)307h810142226H1113H217H3
MFCD30711421
ZINC000096336838
ZINC000096336839
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