Vitas-M small molecule compound
(1Z)-1-chloro-6-methyl-6-[(2-methylbutan-2-yl)peroxy]-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)hept-1-en-4-yn-3-yl acetate
Catalog ID
STL360877
SMILES CCC(OOC(C#CC(/C=C(/C12CC3CC(C2)CC(C1)C3)\Cl)OC(=O)C)(C)C)(C)C
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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 C25H37ClO4 MW 437.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H37ClO4/c1-7-23(3,4)29-30-24(5,6)9-8-21(28-17(2)27)13-22(26)25-14-18-10-19(15-25)12-20(11-18)16-25/h13,18-21H,7,10-12,14-16H2,1-6H3/b22-13-InChIKey
PLCZOUFQHLCKME-XKZIYDEJSA-NSynonyms
247943-37-9((Z)1(1ADAMANTYL)1CHLORO6METHYL6(2METHYLBUTAN2YLPEROXY)HEPT1EN4YN3YL)ACETATE
(1Z)1chloro6methyl6((2methylbutan2yl)peroxy)1(tricyclo(3311~37~)dec1yl)hept1en4yn3ylacetate
(Z)1((3r5r7r)adamantan1yl)1chloro6methyl6(tertpentylperoxy)hept1en4yn3ylacetate
247943379
CCC(C)(C)OOC(C)(C)C#CC(C=C(C12CC3CC(C1)CC(C3)C2)Cl)OC(=O)C
CCC(OOC(C#CC(C=C(C12CC3CC(C2)CC(C1)C3)Cl)OC(=O)C)(C)C)(C)C
InChI=1SC25H37ClO4c1723(34)293024(56)9821(2817(2)27)1322(26)2514181019(1525)1220(1118)1625h131821H710121416H216H3b2213
ZINC000100681780
ZINC000105348715
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