Vitas-M small molecule compound
{(2E)-2-[(2E)-(4-{[(4-chlorophenyl)carbonyl]oxy}-3-ethoxybenzylidene)hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl}acetic acid
Catalog ID
STL383700
SMILES CCOc1cc(/C=N/N=C/2\NC(=O)C(S2)CC(=O)O)ccc1OC(=O)c1ccc(cc1)Cl
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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 C21H18ClN3O6S MW 475.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O6S/c1-2-30-16-9-12(11-23-25-21-24-19(28)17(32-21)10-18(26)27)3-8-15(16)31-20(29)13-4-6-14(22)7-5-13/h3-9,11,17H,2,10H2,1H3,(H,26,27)(H,24,25,28)/b23-11+InChIKey
UNJQHQIWNFSPQE-FOKLQQMPSA-NSynonyms
((2E)2((2E)(4(((4chlorophenyl)carbonyl)oxy)3ethoxybenzylidene)hydrazinylidene)4oxo13thiazolidin5yl)aceticacid
2(2((2E)2((4(4chlorobenzoyl)oxy3ethoxyphenyl)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)Cl
CCOc1cc(C=NN=C2NC(=O)C(S2)CC(=O)O)ccc1OC(=O)c1ccc(cc1)Cl
InChI=1SC21H18ClN3O6Sc123016912(112325212419(28)17(3221)1018(26)27)3815(16)3120(29)134614(22)7513h391117H210H21H3(H2627)(H242528)b2311+
MFCD03139139
ZINC000003613540
ZINC000015857424
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