Vitas-M small molecule compound
cyclopentyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK378269
SMILES COc1cc(cc(c1O)OC)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 C26H33NO6 MW 455.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO6/c1-14-21(25(30)33-16-8-6-7-9-16)22(15-10-19(31-4)24(29)20(11-15)32-5)23-17(27-14)12-26(2,3)13-18(23)28/h10-11,16,22,27,29H,6-9,12-13H2,1-5H3InChIKey
PMNNSKHIMNIYRO-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)OC)O)OC)C(=O)OC4CCCC4
cyclopentyl4(4hydroxy35dimethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(4hydroxy35dimethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC26H33NO6c11421(25(30)3316867916)22(151019(314)24(29)20(1115)325)2317(2714)1226(23)1318(23)28h101116222729H691213H215H3
MFCD01823624
ZINC000019880670
ZINC000019880673
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