Vitas-M small molecule compound
ethyl 4-(3-methoxy-4-propoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK098312
SMILES CCCOc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)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 C25H33NO5 MW 427.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33NO5/c1-7-11-31-19-10-9-16(12-20(19)29-6)22-21(24(28)30-8-2)15(3)26-17-13-25(4,5)14-18(27)23(17)22/h9-10,12,22,26H,7-8,11,13-14H2,1-6H3InChIKey
SOYBGCIUJAPMAW-UHFFFAOYSA-NSynonyms
299449-66-4299449664
CCCOC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC)C)OC
CCCOc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCC
ethyl4(3methoxy4propoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(3methoxy4propoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC25H33NO5c1711311910916(1220(19)296)2221(24(28)3082)15(3)26171325(45)1418(27)23(17)22h910122226H78111314H216H3
MFCD00717814
STK098312
ZINC000004060463
ZINC000004060468
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