Vitas-M small molecule compound
4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxyphenyl tricyclo[3.3.1.1~3,7~]decane-1-carboxylate
Catalog ID
STK392878
SMILES COc1cc(ccc1OC(=O)C12CC3CC(C2)CC(C1)C3)/C=C/1\C(=O)NN(C1=O)c1ccccc1
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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 C28H28N2O5 MW 472.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O5/c1-34-24-13-17(12-22-25(31)29-30(26(22)32)21-5-3-2-4-6-21)7-8-23(24)35-27(33)28-14-18-9-19(15-28)11-20(10-18)16-28/h2-8,12-13,18-20H,9-11,14-16H2,1H3,(H,29,31)/b22-12+InChIKey
RWJWLGVCNJVKOU-WSDLNYQXSA-NSynonyms
(4((E)(35DIOXO1PHENYLPYRAZOLIDIN4YLIDENE)METHYL)2METHOXYPHENYL)ADAMANTANE1CARBOXYLATE
4((35DIOXO1PHENYL(12DIAZOLIDIN4YLIDENE))METHYL)2METHOXYPHENYLADAMANTANECARBOXYLATE
4((E)(35dioxo1phenylpyrazolidin4ylidene)methyl)2methoxyphenyltricyclo(3311~37~)decane1carboxylate
COC1=C(C=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)OC(=O)C45CC6CC(C4)CC(C6)C5
COc1cc(ccc1OC(=O)C12CC3CC(C2)CC(C1)C3)C=C1C(=O)NN(C1=O)c1ccccc1
InChI=1SC28H28N2O5c134241317(122225(31)2930(26(22)32)215324621)7823(24)3527(33)281418919(1528)1120(1018)1628h2812131820H9111416H21H3(H2931)b2212+
MFCD02067155
ZINC08842996
ZINC8842996
Check stock
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Check stock on Vitas-MAvailable files
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