Vitas-M small molecule compound
4-[(E)-{2-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl]phenyl 4-chlorobenzoate
Catalog ID
STL427746
SMILES Clc1ccc(cc1)C(=O)Oc1ccc(cc1)/C=N/Nc1nc(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 C27H30ClN7O2 MW 520.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30ClN7O2/c28-22-11-9-21(10-12-22)24(36)37-23-13-7-20(8-14-23)19-29-33-25-30-26(34-15-3-1-4-16-34)32-27(31-25)35-17-5-2-6-18-35/h7-14,19H,1-6,15-18H2,(H,30,31,32,33)/b29-19+InChIKey
OQCRNEDCKXMBPR-VUTHCHCSSA-NSynonyms
(4((E)((46di(piperidin1yl)135triazin2yl)hydrazinylidene)methyl)phenyl)4chlorobenzoate
4((E)(2(46di(piperidin1yl)135triazin2yl)hydrazinylidene)methyl)phenyl4chlorobenzoate
C1CCN(CC1)C2=NC(=NC(=N2)NN=CC3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Cl)N5CCCCC5
Clc1ccc(cc1)C(=O)Oc1ccc(cc1)C=NNc1nc(nc(n1)N1CCCCC1)N1CCCCC1
InChI=1SC27H30ClN7O2c282211921(101222)24(36)372313720(81423)192933253026(34153141634)3227(3125)35175261835h71419H161518H2(H30313233)b2919+
MFCD00644746
ZINC000008872286
ZINC103428218
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