Vitas-M small molecule compound
{(2E)-2-[(2E)-(4-{[(3-fluorophenyl)carbonyl]oxy}-3-methoxybenzylidene)hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl}acetic acid
Catalog ID
STL383713
SMILES COc1cc(/C=N/N=C/2\NC(=O)C(S2)CC(=O)O)ccc1OC(=O)c1cccc(c1)F
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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 C20H16FN3O6S MW 445.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16FN3O6S/c1-29-15-7-11(10-22-24-20-23-18(27)16(31-20)9-17(25)26)5-6-14(15)30-19(28)12-3-2-4-13(21)8-12/h2-8,10,16H,9H2,1H3,(H,25,26)(H,23,24,27)/b22-10+InChIKey
BIXOMOGNXMNKEY-LSHDLFTRSA-NSynonyms
((2E)2((2E)(4(((3fluorophenyl)carbonyl)oxy)3methoxybenzylidene)hydrazinylidene)4oxo13thiazolidin5yl)aceticacid
2(2((2E)2((4(3fluorobenzoyl)oxy3methoxyphenyl)methylidene)hydrazinyl)4oxo13thiazol5yl)aceticacid
COC1=C(C=CC(=C1)C=NNC2=NC(=O)C(S2)CC(=O)O)OC(=O)C3=CC(=CC=C3)F
COc1cc(C=NN=C2NC(=O)C(S2)CC(=O)O)ccc1OC(=O)c1cccc(c1)F
InChI=1SC20H16FN3O6Sc12915711(102224202318(27)16(3120)917(25)26)5614(15)3019(28)1232413(21)812h281016H9H21H3(H2526)(H232427)b2210+
MFCD03140023
ZINC000006603490
ZINC000016115418
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