Vitas-M small molecule compound

2,3-dimethoxy-6-{(E)-[(2E)-(5-{2-[(4-methylphenyl)amino]-2-oxoethyl}-4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl}benzoic acid

Catalog ID
STK573967
SMILES COc1c(OC)ccc(c1C(=O)O)/C=N/N=C/1\NC(=O)C(S1)CC(=O)Nc1ccc(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 C22H22N4O6S MW 470.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O6S/c1-12-4-7-14(8-5-12)24-17(27)10-16-20(28)25-22(33-16)26-23-11-13-6-9-15(31-2)19(32-3)18(13)21(29)30/h4-9,11,16H,10H2,1-3H3,(H,24,27)(H,29,30)(H,25,26,28)/b23-11+
InChIKey
JYSLTCGRZLVMEU-FOKLQQMPSA-N
Synonyms
501112-44-3
23dimethoxy6((E)((2E)(5(2((4methylphenyl)amino)2oxoethyl)4oxo13thiazolidin2ylidene)hydrazinylidene)methyl)benzoicacid
23dimethoxy6((E)((5(2(4methylanilino)2oxoethyl)4oxo13thiazol2yl)hydrazinylidene)methyl)benzoicacid
23dimethoxy6((E)((E)(4oxo5(2oxo2(ptolylamino)ethyl)thiazolidin2ylidene)hydrazono)methyl)benzoicacid
501112443
6((1E)3(5((N(4METHYLPHENYL)CARBAMOYL)METHYL)4OXO(13THIAZOLIDIN2YLIDENE))23DIAZAPROP1ENYL)23DIMETHOXYBENZOICACID
CC1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)NN=CC3=C(C(=C(C=C3)OC)OC)C(=O)O
COc1c(OC)ccc(c1C(=O)O)C=NN=C1NC(=O)C(S1)CC(=O)Nc1ccc(cc1)C
InChI=1SC22H22N4O6Sc1124714(8512)2417(27)101620(28)2522(3316)262311136915(312)19(323)18(13)21(29)30h491116H10H213H3(H2427)(H2930)(H252628)b2311+
MFCD03621051
ZINC000001889532
ZINC000008741907

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Available files

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