Vitas-M small molecule compound

3-[(E)-{2-[4-(morpholin-4-yl)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl]-1-(4-nitrobenzyl)-1H-indole

Catalog ID
STL428263
SMILES [O-][N+](=O)c1ccc(cc1)Cn1cc(c2c1cccc2)/C=N/Nc1nc(nc(n1)N1CCOCC1)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 C28H31N9O3 MW 541.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N9O3/c38-37(39)23-10-8-21(9-11-23)19-36-20-22(24-6-2-3-7-25(24)36)18-29-33-26-30-27(34-12-4-1-5-13-34)32-28(31-26)35-14-16-40-17-15-35/h2-3,6-11,18,20H,1,4-5,12-17,19H2,(H,30,31,32,33)/b29-18+
InChIKey
MDDGERJLNDSWQJ-RDRPBHBLSA-N
Synonyms

((1E)2(1((4NITROPHENYL)METHYL)INDOL3YL)1AZAVINYL)(4MORPHOLIN4YL6PIPERIDYL(135TRIAZIN2YL))AMINE
(O)(N+)(=O)c1ccc(cc1)Cn1cc(c2c1cccc2)C=NNc1nc(nc(n1)N1CCOCC1)N1CCCCC1
3((E)(2(4(morpholin4yl)6(piperidin1yl)135triazin2yl)hydrazinylidene)methyl)1(4nitrobenzyl)1Hindole
4morpholin4ylN((E)(1((4nitrophenyl)methyl)indol3yl)methylideneamino)6piperidin1yl135triazin2amine
C1CCN(CC1)C2=NC(=NC(=N2)NN=CC3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)(N+)(=O)(O))N6CCOCC6
InChI=1SC28H31N9O3c3837(39)2310821(91123)19362022(24623725(24)36)182933263027(34124151334)3228(3126)35141640171535h236111820H145121719H2(H30313233)b2918+
MFCD02060527
ZINC000100947903
ZINC109909193

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Available files

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