Vitas-M small molecule compound
2-methoxy-4-[(E)-(5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]phenyl tricyclo[3.3.1.1~3,7~]decane-1-carboxylate
Catalog ID
STK053239
SMILES COc1cc(ccc1OC(=O)C12CC3CC(C2)CC(C1)C3)/C=C\1/NC(=S)NC1=O
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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 C22H24N2O4S MW 412.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O4S/c1-27-18-8-12(7-16-19(25)24-21(29)23-16)2-3-17(18)28-20(26)22-9-13-4-14(10-22)6-15(5-13)11-22/h2-3,7-8,13-15H,4-6,9-11H2,1H3,(H2,23,24,25,29)/b16-7+InChIKey
KNVDZKUARCPDPN-FRKPEAEDSA-NSynonyms
(2METHOXY4((E)(5OXO2SULFANYLIDENEIMIDAZOLIDIN4YLIDENE)METHYL)PHENYL)ADAMANTANE1CARBOXYLATE
2methoxy4((E)(5oxo2thioxoimidazolidin4ylidene)methyl)phenyltricyclo(3311~37~)decane1carboxylate
COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N2)OC(=O)C34CC5CC(C3)CC(C5)C4
COc1cc(ccc1OC(=O)C12CC3CC(C2)CC(C1)C3)C=C1NC(=S)NC1=O
InChI=1SC22H24N2O4Sc12718812(71619(25)2421(29)2316)2317(18)2820(26)22913414(1022)615(513)1122h23781315H46911H21H3(H223242529)b167+
MFCD04083188
STK053239
ZINC000013943817
ZINC13943817
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