Vitas-M small molecule compound
cyclopentyl 4-(2,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK032019
SMILES COc1ccc(c(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCC1)OC
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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 C26H33NO5 MW 439.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO5/c1-15-22(25(29)32-16-8-6-7-9-16)23(18-12-17(30-4)10-11-21(18)31-5)24-19(27-15)13-26(2,3)14-20(24)28/h10-12,16,23,27H,6-9,13-14H2,1-5H3InChIKey
HPKUKLLSCVKVBR-UHFFFAOYSA-NSynonyms
299407-89-9299407899
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C=CC(=C3)OC)OC)C(=O)OC4CCCC4
COc1ccc(c(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCC1)OC
cyclopentyl4(25dimethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(25dimethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC26H33NO5c11522(25(29)3216867916)23(181217(304)101121(18)315)2419(2715)1326(23)1420(24)28h1012162327H691314H215H3
MFCD00619517
STK032019
ZINC000000823699
ZINC000019315087
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