Vitas-M small molecule compound

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

Catalog ID
STK019639
SMILES Cc1ccccc1Cn1c(C)c(c2c1cccc2)/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 C31H38N8 MW 522.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H38N8/c1-23-13-5-6-14-25(23)22-39-24(2)27(26-15-7-8-16-28(26)39)21-32-36-29-33-30(37-17-9-3-10-18-37)35-31(34-29)38-19-11-4-12-20-38/h5-8,13-16,21H,3-4,9-12,17-20,22H2,1-2H3,(H,33,34,35,36)/b32-21+
InChIKey
HDLWSMYJDIXNON-RUMWWMSVSA-N
Synonyms

2METHYL1(2METHYLBENZYL)1HINDOLE3CARBALDEHYDE(46DI(1PIPERIDINYL)135TRIAZIN2YL)HYDRAZONE
3((E)(2(46DI(PIPERIDIN1YL)135TRIAZIN2YL)HYDRAZINYLIDENE)METHYL)2METHYL1(2METHYLBENZYL)1HINDOLE
CC1=CC=CC=C1CN2C(=C(C3=CC=CC=C32)C=NNC4=NC(=NC(=N4)N5CCCCC5)N6CCCCC6)C
Cc1ccccc1Cn1c(C)c(c2c1cccc2)C=NNc1nc(nc(n1)N1CCCCC1)N1CCCCC1
InChI=1SC31H38N8c12313561425(23)223924(2)27(2615781628(26)39)213236293330(371793101837)3531(3429)3819114122038h58131621H34912172022H212H3(H33343536)b3221+
MFCD03184104
N((E)(2methyl1((2methylphenyl)methyl)indol3yl)methylideneamino)46di(piperidin1yl)135triazin2amine
STK019639
ZINC000008451366
ZINC101402604

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.