Vitas-M small molecule compound

N-benzyl-2-{4-[(E)-(2-{[4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)phenyl]carbonyl}hydrazinylidene)methyl]phenoxy}acetamide

Catalog ID
STL136414
SMILES O=C(NCc1ccccc1)COc1ccc(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 C33H32N4O3 MW 532.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N4O3/c38-32(34-20-25-6-2-1-3-7-25)24-40-31-16-12-26(13-17-31)21-35-36-33(39)29-14-10-27(11-15-29)22-37-19-18-28-8-4-5-9-30(28)23-37/h1-17,21H,18-20,22-24H2,(H,34,38)(H,36,39)/b35-21+
InChIKey
FIRRUCZIXLOLSL-XICOUIIWSA-N
Synonyms

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NN=CC4=CC=C(C=C4)OCC(=O)NCC5=CC=CC=C5
InChI=1SC33H32N4O3c3832(3420256213725)244031161226(131731)21353633(39)29141027(111529)2237191828845930(28)2337h11721H18202224H2(H3438)(H3639)b3521+
MFCD02806398
N((E)(4(2(benzylamino)2oxoethoxy)phenyl)methylideneamino)4(34dihydro1Hisoquinolin2ylmethyl)benzamide
Nbenzyl2(4((E)(2((4(34dihydroisoquinolin2(1H)ylmethyl)phenyl)carbonyl)hydrazinylidene)methyl)phenoxy)acetamide
O=C(NCc1ccccc1)COc1ccc(cc1)C=NNC(=O)c1ccc(cc1)CN1CCc2c(C1)cccc2
ZINC000059646712
ZINC103141693

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Available files

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