Vitas-M small molecule compound

methyl [(5Z)-3-(4-ethylphenyl)-5-(furan-2-ylmethylidene)-4-oxo-2-thioxoimidazolidin-1-yl]acetate

Catalog ID
STL375054
SMILES COC(=O)CN1/C(=C\c2ccco2)/C(=O)N(C1=S)c1ccc(cc1)CC

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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 C19H18N2O4S MW 370.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O4S/c1-3-13-6-8-14(9-7-13)21-18(23)16(11-15-5-4-10-25-15)20(19(21)26)12-17(22)24-2/h4-11H,3,12H2,1-2H3/b16-11-
InChIKey
QJAHNJXSSPVILI-WJDWOHSUSA-N
Synonyms

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CO3)N(C2=S)CC(=O)OC
COC(=O)CN1C(=Cc2ccco2)C(=O)N(C1=S)c1ccc(cc1)CC
InChI=1SC19H18N2O4Sc13136814(9713)2118(23)16(111554102515)20(19(21)26)1217(22)242h411H312H212H3b1611
methyl((5Z)3(4ethylphenyl)5(furan2ylmethylidene)4oxo2thioxoimidazolidin1yl)acetate
METHYL2((5Z)3(4ETHYLPHENYL)5(FURAN2YLMETHYLIDENE)4OXO2SULFANYLIDENEIMIDAZOLIDIN1YL)ACETATE
MFCD03720914
ZINC000001129530
ZINC01129530
ZINC1129530

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.