Vitas-M small molecule compound
4-[(E)-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]imino}methyl]phenyl 4-methylbenzenesulfonate
Catalog ID
STK756961
SMILES Cc1ccc(cc1)c1nn(c(c1)/N=C/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)c1ccccc1
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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 C30H25N3O3S MW 507.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N3O3S/c1-22-8-14-25(15-9-22)29-20-30(33(32-29)26-6-4-3-5-7-26)31-21-24-12-16-27(17-13-24)36-37(34,35)28-18-10-23(2)11-19-28/h3-21H,1-2H3/b31-21+InChIKey
DGIGBXAONMNHQR-NJZRLIGZSA-NSynonyms
(4((E)(5(4methylphenyl)2phenylpyrazol3yl)iminomethyl)phenyl)4methylbenzenesulfonate
4((E)((3(4methylphenyl)1phenyl1Hpyrazol5yl)imino)methyl)phenyl4methylbenzenesulfonate
CC1=CC=C(C=C1)C2=NN(C(=C2)N=CC3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)C)C5=CC=CC=C5
Cc1ccc(cc1)c1nn(c(c1)N=Cc1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)c1ccccc1
InChI=1SC30H25N3O3Sc12281425(15922)292030(33(3229)266435726)312124121627(171324)3637(3435)28181023(2)111928h321H12H3b3121+
MFCD00755119
ZINC000003094752
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