Vitas-M small molecule compound
{(2E)-2-[(2E)-(4-methoxy-3-{[(4-methylphenyl)carbonyl]oxy}benzylidene)hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl}acetic acid
Catalog ID
STL383704
SMILES COc1ccc(cc1OC(=O)c1ccc(cc1)C)/C=N/N=C/1\NC(=O)C(S1)CC(=O)O
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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 C21H19N3O6S MW 441.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O6S/c1-12-3-6-14(7-4-12)20(28)30-16-9-13(5-8-15(16)29-2)11-22-24-21-23-19(27)17(31-21)10-18(25)26/h3-9,11,17H,10H2,1-2H3,(H,25,26)(H,23,24,27)/b22-11+InChIKey
WUQVMQWRDRRRSB-SSDVNMTOSA-NSynonyms
((2E)2((2E)(4methoxy3(((4methylphenyl)carbonyl)oxy)benzylidene)hydrazinylidene)4oxo13thiazolidin5yl)aceticacid
2(2((2E)2((4methoxy3(4methylbenzoyl)oxyphenyl)methylidene)hydrazinyl)4oxo13thiazol5yl)aceticacid
CC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C=NNC3=NC(=O)C(S3)CC(=O)O)OC
COc1ccc(cc1OC(=O)c1ccc(cc1)C)C=NN=C1NC(=O)C(S1)CC(=O)O
InChI=1SC21H19N3O6Sc1123614(7412)20(28)3016913(5815(16)292)112224212319(27)17(3121)1018(25)26h391117H10H212H3(H2526)(H232427)b2211+
MFCD03139422
ZINC000006797985
ZINC000016115025
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