Vitas-M small molecule compound

4-{[(1Z)-4-{4-methyl-3-[(tetrahydrofuran-2-ylmethyl)sulfamoyl]phenyl}phthalazin-1(2H)-ylidene]amino}benzamide

Catalog ID
STK559714
SMILES Cc1ccc(cc1S(=O)(=O)NCC1CCCO1)c1n[nH]/c(=N\c2ccc(cc2)C(=O)N)/c2c1cccc2

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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 C27H27N5O4S MW 517.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O4S/c1-17-8-9-19(15-24(17)37(34,35)29-16-21-5-4-14-36-21)25-22-6-2-3-7-23(22)27(32-31-25)30-20-12-10-18(11-13-20)26(28)33/h2-3,6-13,15,21,29H,4-5,14,16H2,1H3,(H2,28,33)(H,30,32)
InChIKey
CQKZKUFCPGMJMC-UHFFFAOYSA-N
Synonyms
488133-73-9
4(((1Z)4(4methyl3((tetrahydrofuran2ylmethyl)sulfamoyl)phenyl)phthalazin1(2H)ylidene)amino)benzamide
4((4(4METHYL3(OXOLAN2YLMETHYLSULFAMOYL)PHENYL)PHTHALAZIN1YL)AMINO)BENZAMIDE
4(4(4METHYL3((TETRAHYDROFURAN2YLMETHYL)SULFAMOYL)PHENYL)PHTHALAZIN1YLAMINO)BENZAMIDE
488133739
CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)N)S(=O)(=O)NCC5CCCO5
Cc1ccc(cc1S(=O)(=O)NCC1CCCO1)c1n(nH)c(=Nc2ccc(cc2)C(=O)N)c2c1cccc2
InChI=1SC27H27N5O4Sc1178919(1524(17)37(3435)29162154143621)2522623723(22)27(323125)3020121018(111320)26(28)33h23613152129H451416H21H3(H22833)(H3032)
MFCD03798063
ZINC000004030424
ZINC000004030425
ZINC04030424

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Available files

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