Vitas-M small molecule compound
2-bromo-4-[(1Z)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]-6-methoxyphenyl tricyclo[3.3.1.1~3,7~]decane-1-carboxylate
Catalog ID
STL417449
SMILES CCOC(=O)/C(=C\c1cc(Br)c(c(c1)OC)OC(=O)C12CC3CC(C2)CC(C1)C3)/C#N
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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 C24H26BrNO5 MW 488.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26BrNO5/c1-3-30-22(27)18(13-26)7-14-8-19(25)21(20(9-14)29-2)31-23(28)24-10-15-4-16(11-24)6-17(5-15)12-24/h7-9,15-17H,3-6,10-12H2,1-2H3/b18-7-InChIKey
FMVFWJVWDMHLRN-WSVATBPTSA-NSynonyms
(2BROMO4((Z)2CYANO3ETHOXY3OXOPROP1ENYL)6METHOXYPHENYL)ADAMANTANE1CARBOXYLATE
2bromo4((1Z)2cyano3ethoxy3oxoprop1en1yl)6methoxyphenyltricyclo(3311~37~)decane1carboxylate
CCOC(=O)C(=CC1=CC(=C(C(=C1)Br)OC(=O)C23CC4CC(C2)CC(C4)C3)OC)C#N
CCOC(=O)C(=Cc1cc(Br)c(c(c1)OC)OC(=O)C12CC3CC(C2)CC(C1)C3)C#N
ETHYL(2Z)3(4ADAMANTANYLCARBONYLOXY3BROMO5METHOXYPHENYL)2CYANOPROP2ENOATE
InChI=1SC24H26BrNO5c133022(27)18(1326)714819(25)21(20(914)292)3123(28)241015416(1124)617(515)1224h791517H361012H212H3b187
ZINC000015012181
ZINC15012181
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