Vitas-M small molecule compound
benzyl 4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK370761
SMILES COc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCc1ccccc1
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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 C27H29NO5 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO5/c1-16-23(26(31)33-15-17-8-6-5-7-9-17)24(18-10-11-20(29)22(12-18)32-4)25-19(28-16)13-27(2,3)14-21(25)30/h5-12,24,28-29H,13-15H2,1-4H3InChIKey
GLGKQIQLKWHGEP-UHFFFAOYSA-NSynonyms
benzyl4(4hydroxy3methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(4hydroxy3methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)O)OC)C(=O)OCC4=CC=CC=C4
InChI=1SC27H29NO5c11623(26(31)3315178657917)24(18101120(29)22(1218)324)2519(2816)1327(23)1421(25)30h512242829H1315H214H3
MFCD00315336
ZINC000000752190
ZINC000000752191
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Check stock on Vitas-MAvailable files
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