Vitas-M small molecule compound

N-[2-(3,4-diethoxyphenyl)ethyl]-5-{4-[(4-methoxyphenyl)amino]phthalazin-1-yl}-2-methylbenzenesulfonamide

Catalog ID
STK678534
SMILES CCOc1cc(CCNS(=O)(=O)c2cc(ccc2C)c2nnc(c3c2cccc3)Nc2ccc(cc2)OC)ccc1OCC

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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 C34H36N4O5S MW 612.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H36N4O5S/c1-5-42-30-18-12-24(21-31(30)43-6-2)19-20-35-44(39,40)32-22-25(13-11-23(32)3)33-28-9-7-8-10-29(28)34(38-37-33)36-26-14-16-27(41-4)17-15-26/h7-18,21-22,35H,5-6,19-20H2,1-4H3,(H,36,38)
InChIKey
AKKHWMXQMLWBRL-UHFFFAOYSA-N
Synonyms

CCOC1=C(C=C(C=C1)CCNS(=O)(=O)C2=C(C=CC(=C2)C3=NN=C(C4=CC=CC=C43)NC5=CC=C(C=C5)OC)C)OCC
InChI=1SC34H36N4O5Sc154230181224(2131(30)4362)19203544(3940)322225(131123(32)3)33289781029(28)34(383733)3626141627(414)171526h718212235H561920H214H3(H3638)
MFCD03308447
N(2(34diethoxyphenyl)ethyl)5(4((4methoxyphenyl)amino)phthalazin1yl)2methylbenzenesulfonamide
N(2(34DIETHOXYPHENYL)ETHYL)5(4(4METHOXYANILINO)PHTHALAZIN1YL)2METHYLBENZENESULFONAMIDE
ZINC000098003723
ZINC98003723

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Available files

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