Vitas-M small molecule compound
methyl {(5Z)-3-(4-ethoxyphenyl)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-4-oxo-2-thioxoimidazolidin-1-yl}acetate
Catalog ID
STL369451
SMILES CCOc1ccc(cc1)N1C(=O)/C(=C/C=C/c2ccco2)/N(C1=S)CC(=O)OC
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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 C21H20N2O5S MW 412.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5S/c1-3-27-17-11-9-15(10-12-17)23-20(25)18(8-4-6-16-7-5-13-28-16)22(21(23)29)14-19(24)26-2/h4-13H,3,14H2,1-2H3/b6-4+,18-8-InChIKey
GNCSHJNGLDKLFM-VDZUBFLMSA-NSynonyms
CCOC1=CC=C(C=C1)N2C(=O)C(=CC=CC3=CC=CO3)N(C2=S)CC(=O)OC
CCOc1ccc(cc1)N1C(=O)C(=CC=Cc2ccco2)N(C1=S)CC(=O)OC
InChI=1SC21H20N2O5Sc13271711915(101217)2320(25)18(8461675132816)22(21(23)29)1419(24)262h413H314H212H3b64+188
methyl((5Z)3(4ethoxyphenyl)5((2E)3(furan2yl)prop2en1ylidene)4oxo2thioxoimidazolidin1yl)acetate
METHYL2((5Z)3(4ETHOXYPHENYL)5((E)3(FURAN2YL)PROP2ENYLIDENE)4OXO2SULFANYLIDENEIMIDAZOLIDIN1YL)ACETATE
MFCD03721893
ZINC000001107019
ZINC01107019
ZINC1107019
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