Vitas-M small molecule compound
{(2E)-2-[(2E)-(3-ethoxy-4-{[(4-methylphenyl)carbonyl]oxy}benzylidene)hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl}acetic acid
Catalog ID
STL383703
SMILES CCOc1cc(/C=N/N=C/2\NC(=O)C(S2)CC(=O)O)ccc1OC(=O)c1ccc(cc1)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 C22H21N3O6S MW 455.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O6S/c1-3-30-17-10-14(12-23-25-22-24-20(28)18(32-22)11-19(26)27)6-9-16(17)31-21(29)15-7-4-13(2)5-8-15/h4-10,12,18H,3,11H2,1-2H3,(H,26,27)(H,24,25,28)/b23-12+InChIKey
WMSSPNGHKUXSHC-FSJBWODESA-NSynonyms
((2E)2((2E)(3ethoxy4(((4methylphenyl)carbonyl)oxy)benzylidene)hydrazinylidene)4oxo13thiazolidin5yl)aceticacid
2(2((2E)2((3ethoxy4(4methylbenzoyl)oxyphenyl)methylidene)hydrazinyl)4oxo13thiazol5yl)aceticacid
CCOC1=C(C=CC(=C1)C=NNC2=NC(=O)C(S2)CC(=O)O)OC(=O)C3=CC=C(C=C3)C
CCOc1cc(C=NN=C2NC(=O)C(S2)CC(=O)O)ccc1OC(=O)c1ccc(cc1)C
InChI=1SC22H21N3O6Sc1330171014(122325222420(28)18(3222)1119(26)27)6916(17)3121(29)157413(2)5815h4101218H311H212H3(H2627)(H242528)b2312+
MFCD03140495
ZINC000002910804
ZINC000016115709
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