Vitas-M small molecule compound

N-(2-hydroxyethyl)-2-methyl-5-{4-[(4-sulfamoylphenyl)amino]phthalazin-1-yl}benzenesulfonamide

Catalog ID
STK048852
SMILES OCCNS(=O)(=O)c1cc(ccc1C)c1nnc(c2c1cccc2)Nc1ccc(cc1)S(=O)(=O)N

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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 C23H23N5O5S2 MW 513.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O5S2/c1-15-6-7-16(14-21(15)35(32,33)25-12-13-29)22-19-4-2-3-5-20(19)23(28-27-22)26-17-8-10-18(11-9-17)34(24,30)31/h2-11,14,25,29H,12-13H2,1H3,(H,26,28)(H2,24,30,31)
InChIKey
SOLSJQMDEXQCNH-UHFFFAOYSA-N
Synonyms

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)S(=O)(=O)N)S(=O)(=O)NCCO
InChI=1SC23H23N5O5S2c1156716(1421(15)35(3233)25121329)2219423520(19)23(282722)261781018(11917)34(2430)31h211142529H1213H21H3(H2628)(H2243031)
MFCD02233837
N(2HYDROXYETHYL)2METHYL5((4E)4((4SULFAMOYLPHENYL)IMINO)34DIHYDROPHTHALAZIN1YL)BENZENESULFONAMIDE
N(2HYDROXYETHYL)2METHYL5(4((4SULFAMOYLPHENYL)AMINO)PHTHALAZIN1YL)BENZENESULFONAMIDE
N(2HYDROXYETHYL)2METHYL5(4(4SULFAMOYLANILINO)PHTHALAZIN1YL)BENZENESULFONAMIDE
OCCNS(=O)(=O)c1cc(ccc1C)c1nnc(c2c1cccc2)Nc1ccc(cc1)S(=O)(=O)N
STK048852
ZINC000009041311
ZINC09041311
ZINC9041311

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Available files

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