Vitas-M small molecule compound
2-bromo-4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenyl tricyclo[3.3.1.1~3,7~]decane-1-carboxylate
Catalog ID
STL282852
SMILES COc1cc(/C=C\2/SC(=O)NC2=O)cc(c1OC(=O)C12CC3CC(C2)CC(C1)C3)Br
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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 C22H22BrNO5S MW 492.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrNO5S/c1-28-16-6-11(7-17-19(25)24-21(27)30-17)5-15(23)18(16)29-20(26)22-8-12-2-13(9-22)4-14(3-12)10-22/h5-7,12-14H,2-4,8-10H2,1H3,(H,24,25,27)/b17-7+InChIKey
JDQFEWGLCACXRQ-REZTVBANSA-NSynonyms
(2BROMO4((E)(24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)6METHOXYPHENYL)ADAMANTANE1CARBOXYLATE
2bromo4((E)(24dioxo13thiazolidin5ylidene)methyl)6methoxyphenyltricyclo(3311~37~)decane1carboxylate
COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)S2)Br)OC(=O)C34CC5CC(C3)CC(C5)C4
COc1cc(C=C2SC(=O)NC2=O)cc(c1OC(=O)C12CC3CC(C2)CC(C1)C3)Br
InChI=1SC22H22BrNO5Sc12816611(71719(25)2421(27)3017)515(23)18(16)2920(26)22812213(922)414(312)1022h571214H24810H21H3(H242527)b177+
ZINC000008451566
ZINC08451566
ZINC8451566
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