Vitas-M small molecule compound
2-chloro-6-methoxy-4-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenyl 4-methylbenzenesulfonate
Catalog ID
STK020752
SMILES COc1cc(/C=N/n2cnnc2)cc(c1OS(=O)(=O)c1ccc(cc1)C)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 C17H15ClN4O4S MW 406.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15ClN4O4S/c1-12-3-5-14(6-4-12)27(23,24)26-17-15(18)7-13(8-16(17)25-2)9-21-22-10-19-20-11-22/h3-11H,1-2H3/b21-9+InChIKey
SLDUHLSSSJKVMP-ZVBGSRNCSA-NSynonyms
(2CHLORO6METHOXY4((E)124TRIAZOL4YLIMINOMETHYL)PHENYL)4METHYLBENZENESULFONATE
2CHLORO6METHOXY4((E)(4H124TRIAZOL4YLIMINO)METHYL)PHENYL4METHYLBENZENESULFONATE
4((1E)2(124TRIAZOL4YL)2AZAVINYL)2CHLORO6METHOXYPHENYL4METHYLBENZENESULFONATE
CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Cl)C=NN3C=NN=C3)OC
COc1cc(C=Nn2cnnc2)cc(c1OS(=O)(=O)c1ccc(cc1)C)Cl
InChI=1SC17H15ClN4O4Sc1123514(6412)27(2324)261715(18)713(816(17)252)921221019201122h311H12H3b219+
MFCD02126426
STK020752
ZINC000002970117
ZINC33398335
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