Vitas-M small molecule compound

4-({4-[3-(tert-butylsulfamoyl)-4-methylphenyl]phthalazin-1-yl}amino)benzamide

Catalog ID
STK028211
SMILES NC(=O)c1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NC(C)(C)C)C

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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 C26H27N5O3S MW 489.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N5O3S/c1-16-9-10-18(15-22(16)35(33,34)31-26(2,3)4)23-20-7-5-6-8-21(20)25(30-29-23)28-19-13-11-17(12-14-19)24(27)32/h5-15,31H,1-4H3,(H2,27,32)(H,28,30)
InChIKey
XZNDDHYYSRCZMZ-UHFFFAOYSA-N
Synonyms

4(((1E)4(3(TERTBUTYLSULFAMOYL)4METHYLPHENYL)PHTHALAZIN1(2H)YLIDENE)AMINO)BENZAMIDE
4((4(3(N(tertbutyl)sulfamoyl)4methylphenyl)phthalazin1yl)amino)benzamide
4((4(3(TERTBUTYLSULFAMOYL)4METHYLPHENYL)PHTHALAZIN1YL)AMINO)BENZAMIDE
CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)N)S(=O)(=O)NC(C)(C)C
InChI=1SC26H27N5O3Sc11691018(1522(16)35(3334)3126(23)4)2320756821(20)25(302923)2819131117(121419)24(27)32h51531H14H3(H22732)(H2830)
MFCD02236962
NC(=O)c1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NC(C)(C)C)C
STK028211
ZINC000017123371
ZINC17123371

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Available files

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