Vitas-M small molecule compound
methyl 2-[({(2E)-2-[(2E)-(4-nitrobenzylidene)hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL019133
SMILES COC(=O)c1c(NC(=O)CC2S/C(=N/N=C/c3ccc(cc3)[N+](=O)[O-])/NC2=O)sc2c1CCCC2
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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 C22H21N5O6S2 MW 515.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O6S2/c1-33-21(30)18-14-4-2-3-5-15(14)34-20(18)24-17(28)10-16-19(29)25-22(35-16)26-23-11-12-6-8-13(9-7-12)27(31)32/h6-9,11,16H,2-5,10H2,1H3,(H,24,28)(H,25,26,29)/b23-11+InChIKey
AWYJVWIOYDKHHJ-FOKLQQMPSA-NSynonyms
857493-90-4857493904
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3C(=O)N=C(S3)NN=CC4=CC=C(C=C4)(N+)(=O)(O)
COC(=O)c1c(NC(=O)CC2SC(=NN=Cc3ccc(cc3)(N+)(=O)(O))NC2=O)sc2c1CCCC2
InChI=1SC22H21N5O6S2c13321(30)1814423515(14)3420(18)2417(28)101619(29)2522(3516)262311126813(9712)27(31)32h691116H2510H21H3(H2428)(H252629)b2311+
methyl2((((2E)2((2E)(4nitrobenzylidene)hydrazinylidene)4oxo13thiazolidin5yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2(2((2E)2((4nitrophenyl)methylidene)hydrazinyl)4oxo13thiazol5yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD05718987
ZINC000012080327
ZINC000012080328
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