Vitas-M small molecule compound

N',N''-[benzene-1,4-diyldi(E)methylylidene]bis[4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)benzohydrazide]

Catalog ID
STK673506
SMILES O=C(c1ccc(cc1)CN1CCc2c(C1)cccc2)N/N=C/c1ccc(cc1)/C=N/NC(=O)c1ccc(cc1)CN1CCc2c(C1)cccc2

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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 C42H40N6O2 MW 660.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H40N6O2/c49-41(37-17-13-33(14-18-37)27-47-23-21-35-5-1-3-7-39(35)29-47)45-43-25-31-9-11-32(12-10-31)26-44-46-42(50)38-19-15-34(16-20-38)28-48-24-22-36-6-2-4-8-40(36)30-48/h1-20,25-26H,21-24,27-30H2,(H,45,49)(H,46,50)/b43-25+,44-26+
InChIKey
ICLXAOLGRUPGQC-PJUICVFASA-N
Synonyms

4(34dihydro1Hisoquinolin2ylmethyl)N((E)(4((E)((4(34dihydro1Hisoquinolin2ylmethyl)benzoyl)hydrazinylidene)methyl)phenyl)methylideneamino)benzamide
C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NN=CC4=CC=C(C=C4)C=NNC(=O)C5=CC=C(C=C5)CN6CCC7=CC=CC=C7C6
InChI=1SC42H40N6O2c4941(37171333(141837)2747232135513739(35)2947)4543253191132(121031)26444642(50)38191534(162038)2848242236624840(36)3048h1202526H21242730H2(H4549)(H4650)b4325+4426+
MFCD01304097
NN(BENZENE14DIYLDI(E)METHYLYLIDENE)BIS(4(34DIHYDROISOQUINOLIN2(1H)YLMETHYL)BENZOHYDRAZIDE)
O=C(c1ccc(cc1)CN1CCc2c(C1)cccc2)NN=Cc1ccc(cc1)C=NNC(=O)c1ccc(cc1)CN1CCc2c(C1)cccc2
ZINC000150356506
ZINC150548021

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Available files

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