Vitas-M small molecule compound
methyl 4-{(E)-[(2E)-{4-oxo-5-[2-oxo-2-(phenylamino)ethyl]-1,3-thiazolidin-2-ylidene}hydrazinylidene]methyl}benzoate
Catalog ID
STL164196
SMILES COC(=O)c1ccc(cc1)/C=N/N=C/1\NC(=O)C(S1)CC(=O)Nc1ccccc1
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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 C20H18N4O4S MW 410.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O4S/c1-28-19(27)14-9-7-13(8-10-14)12-21-24-20-23-18(26)16(29-20)11-17(25)22-15-5-3-2-4-6-15/h2-10,12,16H,11H2,1H3,(H,22,25)(H,23,24,26)/b21-12+InChIKey
NDOPSDFFHKCNTE-CIAFOILYSA-NSynonyms
431056-34-7431056347
COC(=O)C1=CC=C(C=C1)C=NNC2=NC(=O)C(S2)CC(=O)NC3=CC=CC=C3
COC(=O)c1ccc(cc1)C=NN=C1NC(=O)C(S1)CC(=O)Nc1ccccc1
InChI=1SC20H18N4O4Sc12819(27)149713(81014)122124202318(26)16(2920)1117(25)22155324615h2101216H11H21H3(H2225)(H232426)b2112+
methyl4((E)((2E)(4oxo5(2oxo2(phenylamino)ethyl)13thiazolidin2ylidene)hydrazinylidene)methyl)benzoate
methyl4((E)((5(2anilino2oxoethyl)4oxo13thiazol2yl)hydrazinylidene)methyl)benzoate
MFCD03139485
ZINC000004755706
ZINC000006007979
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