Vitas-M small molecule compound
{(2E)-2-[(2E)-{4-[(3,4-dichlorobenzyl)oxy]-3-methoxybenzylidene}hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl}acetic acid
Catalog ID
STK112236
SMILES COc1cc(/C=N/N=C/2\NC(=O)C(S2)CC(=O)O)ccc1OCc1ccc(c(c1)Cl)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 C20H17Cl2N3O5S MW 482.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17Cl2N3O5S/c1-29-16-7-11(9-23-25-20-24-19(28)17(31-20)8-18(26)27)3-5-15(16)30-10-12-2-4-13(21)14(22)6-12/h2-7,9,17H,8,10H2,1H3,(H,26,27)(H,24,25,28)/b23-9+InChIKey
CVNBWBCVICWHIT-NUGSKGIGSA-NSynonyms
((2E)2((2E)(4((34DICHLOROBENZYL)OXY)3METHOXYBENZYLIDENE)HYDRAZINYLIDENE)4OXO13THIAZOLIDIN5YL)ACETICACID
2(2((2E)2((4((34dichlorophenyl)methoxy)3methoxyphenyl)methylidene)hydrazinyl)4oxo13thiazol5yl)aceticacid
COC1=C(C=CC(=C1)C=NNC2=NC(=O)C(S2)CC(=O)O)OCC3=CC(=C(C=C3)Cl)Cl
COc1cc(C=NN=C2NC(=O)C(S2)CC(=O)O)ccc1OCc1ccc(c(c1)Cl)Cl
InChI=1SC20H17Cl2N3O5Sc12916711(92325202419(28)17(3120)818(26)27)3515(16)3010122413(21)14(22)612h27917H810H21H3(H2627)(H242528)b239+
MFCD08671132
ZINC000009763427
ZINC000009763428
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