Vitas-M small molecule compound

4-[(E)-{2-[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene}methyl]phenyl benzenesulfonate

Catalog ID
STK080797
SMILES O=S(=O)(c1ccccc1)Oc1ccc(cc1)/C=N/Nc1cc(nc(n1)N1CCCCC1)N1CCCCC1

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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 C27H32N6O3S MW 520.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N6O3S/c34-37(35,24-10-4-1-5-11-24)36-23-14-12-22(13-15-23)21-28-31-25-20-26(32-16-6-2-7-17-32)30-27(29-25)33-18-8-3-9-19-33/h1,4-5,10-15,20-21H,2-3,6-9,16-19H2,(H,29,30,31)/b28-21+
InChIKey
WBJGFEHNPWBCPX-SGWCAAJKSA-N
Synonyms

(4((E)((26di(piperidin1yl)pyrimidin4yl)hydrazinylidene)methyl)phenyl)benzenesulfonate
4((E)(2(26DI(PIPERIDIN1YL)PYRIMIDIN4YL)HYDRAZINYLIDENE)METHYL)PHENYLBENZENESULFONATE
4(2(26DI(1PIPERIDINYL)4PYRIMIDINYL)CARBOHYDRAZONOYL)PHENYLBENZENESULFONATE
C1CCN(CC1)C2=CC(=NC(=N2)N3CCCCC3)NN=CC4=CC=C(C=C4)OS(=O)(=O)C5=CC=CC=C5
InChI=1SC27H32N6O3Sc3437(3524104151124)3623141222(131523)212831252026(32166271732)3027(2925)33188391933h14510152021H23691619H2(H293031)b2821+
MFCD02952541
O=S(=O)(c1ccccc1)Oc1ccc(cc1)C=NNc1cc(nc(n1)N1CCCCC1)N1CCCCC1
STK080797
ZINC000008407749
ZINC33734674

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Available files

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