Vitas-M small molecule compound
2-methoxy-4-[(E)-(2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenyl 4-chlorobenzenesulfonate
Catalog ID
STK558758
SMILES COc1cc(/C=N/NC(=O)CSc2nncn2C)ccc1OS(=O)(=O)c1ccc(cc1)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 C19H18ClN5O5S2 MW 495.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN5O5S2/c1-25-12-22-24-19(25)31-11-18(26)23-21-10-13-3-8-16(17(9-13)29-2)30-32(27,28)15-6-4-14(20)5-7-15/h3-10,12H,11H2,1-2H3,(H,23,26)/b21-10+InChIKey
UBZZDFHGBHKSCN-UFFVCSGVSA-NSynonyms
579446-19-8(2METHOXY4((E)((2((4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)PHENYL)4CHLOROBENZENESULFONATE
(E)2methoxy4((2(2((4methyl4H124triazol3yl)thio)acetyl)hydrazono)methyl)phenyl4chlorobenzenesulfonate
2methoxy4((E)(2(((4methyl4H124triazol3yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenyl4chlorobenzenesulfonate
579446198
CN1C=NN=C1SCC(=O)NN=CC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)Cl)OC
COc1cc(C=NNC(=O)CSc2nncn2C)ccc1OS(=O)(=O)c1ccc(cc1)Cl
InChI=1SC19H18ClN5O5S2c12512222419(25)311118(26)232110133816(17(913)292)3032(2728)156414(20)5715h31012H11H212H3(H2326)b2110+
MFCD03327412
ZINC000002399455
ZINC33365269
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