Vitas-M small molecule compound

2-bromo-4-[(E)-{2-[4,6-di(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl]-6-ethoxyphenyl 4-methylbenzenesulfonate

Catalog ID
STK055453
SMILES CCOc1cc(/C=N/Nc2nc(nc(n2)N2CCCC2)N2CCCC2)cc(c1OS(=O)(=O)c1ccc(cc1)C)Br

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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 C27H32BrN7O4S MW 630.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32BrN7O4S/c1-3-38-23-17-20(16-22(28)24(23)39-40(36,37)21-10-8-19(2)9-11-21)18-29-33-25-30-26(34-12-4-5-13-34)32-27(31-25)35-14-6-7-15-35/h8-11,16-18H,3-7,12-15H2,1-2H3,(H,30,31,32,33)/b29-18+
InChIKey
LECHFUUDWDKLQF-RDRPBHBLSA-N
Synonyms

(2bromo4((E)((46dipyrrolidin1yl135triazin2yl)hydrazinylidene)methyl)6ethoxyphenyl)4methylbenzenesulfonate
2BROMO4((E)(2(46DI(PYRROLIDIN1YL)135TRIAZIN2YL)HYDRAZINYLIDENE)METHYL)6ETHOXYPHENYL4METHYLBENZENESULFONATE
2BROMO4(2(46DI(1PYRROLIDINYL)135TRIAZIN2YL)CARBOHYDRAZONOYL)6ETHOXYPHENYL4METHYLBENZENESULFONATE
CCOC1=C(C(=CC(=C1)C=NNC2=NC(=NC(=N2)N3CCCC3)N4CCCC4)Br)OS(=O)(=O)C5=CC=C(C=C5)C
CCOc1cc(C=NNc2nc(nc(n2)N2CCCC2)N2CCCC2)cc(c1OS(=O)(=O)c1ccc(cc1)C)Br
InChI=1SC27H32BrN7O4Sc1338231720(1622(28)24(23)3940(3637)2110819(2)91121)182933253026(3412451334)3227(3125)3514671535h8111618H371215H212H3(H30313233)b2918+
MFCD02950954
STK055453
ZINC000008492981
ZINC101449254

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.