Vitas-M small molecule compound
dimethyl 1-(tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
Catalog ID
STK771858
SMILES COC(=O)C1=CN(C=C(C1c1ccc(cc1)OC(F)(F)F)C(=O)OC)CC12CC3CC(C2)CC(C1)C3
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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 C27H30F3NO5 MW 505.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30F3NO5/c1-34-24(32)21-13-31(15-26-10-16-7-17(11-26)9-18(8-16)12-26)14-22(25(33)35-2)23(21)19-3-5-20(6-4-19)36-27(28,29)30/h3-6,13-14,16-18,23H,7-12,15H2,1-2H3InChIKey
KBAUQLHVYXHVDW-UHFFFAOYSA-NSynonyms
COC(=O)C1=CN(C=C(C1C2=CC=C(C=C2)OC(F)(F)F)C(=O)OC)CC34CC5CC(C3)CC(C5)C4
DIMETHYL1(1ADAMANTYLMETHYL)4(4(TRIFLUOROMETHOXY)PHENYL)4HPYRIDINE35DICARBOXYLATE
dimethyl1(tricyclo(3311~37~)dec1ylmethyl)4(4(trifluoromethoxy)phenyl)14dihydropyridine35dicarboxylate
InChI=1SC27H30F3NO5c13424(32)211331(15261016717(1126)918(816)1226)1422(25(33)352)23(21)193520(6419)3627(2829)30h361314161823H71215H212H3
MFCD03767701
ZINC000008869284
ZINC08869284
ZINC8869284
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