Vitas-M small molecule compound
2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenyl 4-methylbenzenesulfonate
Catalog ID
STL420425
SMILES Cc1ccc(cc1)S(=O)(=O)Oc1ccccc1/C=N/n1cnnc1
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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 C16H14N4O3S MW 342.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O3S/c1-13-6-8-15(9-7-13)24(21,22)23-16-5-3-2-4-14(16)10-19-20-11-17-18-12-20/h2-12H,1H3/b19-10+InChIKey
BRMYUQYBDXKSJA-VXLYETTFSA-NSynonyms
(2((E)124triazol4yliminomethyl)phenyl)4methylbenzenesulfonate
2((E)(4H124triazol4ylimino)methyl)phenyl4methylbenzenesulfonate
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=NN3C=NN=C3
Cc1ccc(cc1)S(=O)(=O)Oc1ccccc1C=Nn1cnnc1
InChI=1SC16H14N4O3Sc1136815(9713)24(2122)2316532414(16)1019201117181220h212H1H3b1910+
MFCD02646097
ZINC000252480004
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