Vitas-M small molecule compound
4-[(E)-{2-[4-(phenylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl]phenyl benzoate
Catalog ID
STL427912
SMILES O=C(c1ccccc1)Oc1ccc(cc1)/C=N/Nc1nc(Nc2ccccc2)nc(n1)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 C28H27N7O2 MW 493.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N7O2/c36-25(22-10-4-1-5-11-22)37-24-16-14-21(15-17-24)20-29-34-27-31-26(30-23-12-6-2-7-13-23)32-28(33-27)35-18-8-3-9-19-35/h1-2,4-7,10-17,20H,3,8-9,18-19H2,(H2,30,31,32,33,34)/b29-20+InChIKey
VKMVCXRQIKBCKZ-ZTKZIYFRSA-NSynonyms
(4((E)((4ANILINO6PIPERIDIN1YL135TRIAZIN2YL)HYDRAZINYLIDENE)METHYL)PHENYL)BENZOATE
4((E)(2(4(phenylamino)6(piperidin1yl)135triazin2yl)hydrazinylidene)methyl)phenylbenzoate
C1CCN(CC1)C2=NC(=NC(=N2)NN=CC3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)NC5=CC=CC=C5
InChI=1SC28H27N7O2c3625(22104151122)3724161421(151724)202934273126(3023126271323)3228(3327)35188391935h1247101720H3891819H2(H23031323334)b2920+
MFCD01008623
O=C(c1ccccc1)Oc1ccc(cc1)C=NNc1nc(Nc2ccccc2)nc(n1)N1CCCCC1
ZINC000008398007
ZINC33396473
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