Vitas-M small molecule compound

4-({4-[3-(dimethylsulfamoyl)-4-methylphenyl]phthalazin-1-yl}amino)-N-phenylbenzamide

Catalog ID
STK036233
SMILES O=C(c1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)N(C)C)C)Nc1ccccc1

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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 C30H27N5O3S MW 537.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N5O3S/c1-20-13-14-22(19-27(20)39(37,38)35(2)3)28-25-11-7-8-12-26(25)29(34-33-28)31-24-17-15-21(16-18-24)30(36)32-23-9-5-4-6-10-23/h4-19H,1-3H3,(H,31,34)(H,32,36)
InChIKey
MGTMSNMHEGGKLR-UHFFFAOYSA-N
Synonyms

4(((1E)4(3(DIMETHYLSULFAMOYL)4METHYLPHENYL)PHTHALAZIN1(2H)YLIDENE)AMINO)NPHENYLBENZAMIDE
4((4(3(DIMETHYLSULFAMOYL)4METHYLPHENYL)PHTHALAZIN1YL)AMINO)NPHENYLBENZAMIDE
4((4(3(NNdimethylsulfamoyl)4methylphenyl)phthalazin1yl)amino)Nphenylbenzamide
CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5)S(=O)(=O)N(C)C
InChI=1SC30H27N5O3Sc120131422(1927(20)39(3738)35(2)3)282511781226(25)29(343328)3124171521(161824)30(36)322395461023h419H13H3(H3134)(H3236)
MFCD02236750
O=C(c1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)N(C)C)C)Nc1ccccc1
STK036233
ZINC000002295271
ZINC02295271
ZINC2295271

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Available files

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