Vitas-M small molecule compound
cyclopentyl 4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK063754
SMILES COc1ccc(cc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCC1
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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 C25H31NO5 MW 425.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO5/c1-14-21(24(29)31-16-7-5-6-8-16)22(15-9-10-20(30-4)18(27)11-15)23-17(26-14)12-25(2,3)13-19(23)28/h9-11,16,22,26-27H,5-8,12-13H2,1-4H3InChIKey
ZOQUBAXSSNEJLD-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)O)C(=O)OC4CCCC4
COc1ccc(cc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCC1
cyclopentyl4(3hydroxy4methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(3hydroxy4methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC25H31NO5c11421(24(29)3116756816)22(1591020(304)18(27)1115)2317(2614)1225(23)1319(23)28h91116222627H581213H214H3
MFCD02627240
STK063754
ZINC000001213390
ZINC000019972782
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