Vitas-M small molecule compound

(2-{(Z)-[1-(4-ethoxyphenyl)-3-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene]methyl}phenoxy)acetic acid

Catalog ID
STL378794
SMILES CCOc1ccc(cc1)N1C(=O)/C(=C/c2ccccc2OCC(=O)O)/N(C1=S)C

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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/c1-3-27-16-10-8-15(9-11-16)23-20(26)17(22(2)21(23)29)12-14-6-4-5-7-18(14)28-13-19(24)25/h4-12H,3,13H2,1-2H3,(H,24,25)/b17-12-
InChIKey
XFVJWFSAIMWNFC-ATVHPVEESA-N
Synonyms

(2((Z)(1(4ethoxyphenyl)3methyl5oxo2thioxoimidazolidin4ylidene)methyl)phenoxy)aceticacid
2(2((Z)(1(4ETHOXYPHENYL)3METHYL5OXO2SULFANYLIDENEIMIDAZOLIDIN4YLIDENE)METHYL)PHENOXY)ACETICACID
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CC=C3OCC(=O)O)N(C2=S)C
CCOc1ccc(cc1)N1C(=O)C(=Cc2ccccc2OCC(=O)O)N(C1=S)C
InChI=1SC21H20N2O5Sc13271610815(91116)2320(26)17(22(2)21(23)29)1214645718(14)281319(24)25h412H313H212H3(H2425)b1712
MFCD03716331
ZINC000002819469
ZINC2819469

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Available files

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