Vitas-M small molecule compound
benzyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372353
SMILES COc1cc(cc(c1O)Cl)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 C27H28ClNO5 MW 481.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClNO5/c1-15-22(26(32)34-14-16-8-6-5-7-9-16)23(17-10-18(28)25(31)21(11-17)33-4)24-19(29-15)12-27(2,3)13-20(24)30/h5-11,23,29,31H,12-14H2,1-4H3InChIKey
CBTKHNLMBZYBIA-UHFFFAOYSA-NSynonyms
benzyl4(3chloro4hydroxy5methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(3chloro4hydroxy5methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)Cl)O)OC)C(=O)OCC4=CC=CC=C4
InChI=1SC27H28ClNO5c11522(26(32)3414168657916)23(171018(28)25(31)21(1117)334)2419(2915)1227(23)1320(24)30h511232931H1214H214H3
MFCD00753103
ZINC000019535832
ZINC000019535834
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