Vitas-M small molecule compound

4-{(2E)-2-[2-(benzyloxy)-3,5-diiodobenzylidene]hydrazinyl}-6-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)-1,3,5-triazin-2-amine

Catalog ID
STK673745
SMILES Cc1ccc(cc1)Nc1nc(N/N=C/c2cc(I)cc(c2OCc2ccccc2)I)nc(n1)N1CCC(CC1)Cc1ccccc1

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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 C36H35I2N7O MW 835.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H35I2N7O/c1-25-12-14-31(15-13-25)40-34-41-35(43-36(42-34)45-18-16-27(17-19-45)20-26-8-4-2-5-9-26)44-39-23-29-21-30(37)22-32(38)33(29)46-24-28-10-6-3-7-11-28/h2-15,21-23,27H,16-20,24H2,1H3,(H2,40,41,42,43,44)/b39-23+
InChIKey
RUJJBXIIWLLAGW-JRZNSJKLSA-N
Synonyms

4((2E)2(2(benzyloxy)35diiodobenzylidene)hydrazinyl)6(4benzylpiperidin1yl)N(4methylphenyl)135triazin2amine
6(4benzylpiperidin1yl)2N((E)(35diiodo2phenylmethoxyphenyl)methylideneamino)4N(4methylphenyl)135triazine24diamine
CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CCC(CC3)CC4=CC=CC=C4)NN=CC5=CC(=CC(=C5OCC6=CC=CC=C6)I)I
Cc1ccc(cc1)Nc1nc(NN=Cc2cc(I)cc(c2OCc2ccccc2)I)nc(n1)N1CCC(CC1)Cc1ccccc1
InChI=1SC36H35I2N7Oc125121431(151325)40344135(4336(4234)45181627(171945)20268425926)443923292130(37)2232(38)33(29)462428106371128h215212327H162024H21H3(H24041424344)b3923+
MFCD01065973
ZINC000008407184
ZINC150622476

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Available files

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