Vitas-M small molecule compound
4-{(Z)-[1-(4-iodophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenyl propanoate
Catalog ID
STL431860
SMILES CCC(=O)Oc1ccc(cc1OC)/C=C\1/C(=O)NN(C1=O)c1ccc(cc1)I
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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 C20H17IN2O5 MW 492.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17IN2O5/c1-3-18(24)28-16-9-4-12(11-17(16)27-2)10-15-19(25)22-23(20(15)26)14-7-5-13(21)6-8-14/h4-11H,3H2,1-2H3,(H,22,25)/b15-10-InChIKey
ZUEHXDOEWVTWGV-GDNBJRDFSA-NSynonyms
(4((Z)(1(4iodophenyl)35dioxopyrazolidin4ylidene)methyl)2methoxyphenyl)propanoate
4((Z)(1(4iodophenyl)35dioxopyrazolidin4ylidene)methyl)2methoxyphenylpropanoate
CCC(=O)OC1=C(C=C(C=C1)C=C2C(=O)NN(C2=O)C3=CC=C(C=C3)I)OC
CCC(=O)Oc1ccc(cc1OC)C=C1C(=O)NN(C1=O)c1ccc(cc1)I
InChI=1SC20H17IN2O5c1318(24)28169412(1117(16)272)101519(25)2223(20(15)26)147513(21)6814h411H3H212H3(H2225)b1510
MFCD01190936
ZINC000027519916
ZINC27519916
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