Vitas-M small molecule compound
methyl 4-[(4-{3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl}phthalazin-1-yl)amino]benzoate
Catalog ID
STK092878
SMILES COC(=O)c1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NC(CO)(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 C27H28N4O5S MW 520.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O5S/c1-17-9-10-19(15-23(17)37(34,35)31-27(2,3)16-32)24-21-7-5-6-8-22(21)25(30-29-24)28-20-13-11-18(12-14-20)26(33)36-4/h5-15,31-32H,16H2,1-4H3,(H,28,30)InChIKey
NUBGYODZQGZDFT-UHFFFAOYSA-NSynonyms
488137-72-0CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)OC)S(=O)(=O)NC(C)(C)CO
COC(=O)c1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NC(CO)(C)C)C
InChI=1SC27H28N4O5Sc11791019(1523(17)37(3435)3127(23)1632)2421756822(21)25(302924)2820131118(121420)26(33)364h5153132H16H214H3(H2830)
METHYL4(((1Z)4(3((1HYDROXY2METHYLPROPAN2YL)SULFAMOYL)4METHYLPHENYL)PHTHALAZIN1(2H)YLIDENE)AMINO)BENZOATE
METHYL4((4(3((1HYDROXY2METHYLPROPAN2YL)SULFAMOYL)4METHYLPHENYL)PHTHALAZIN1YL)AMINO)BENZOATE
methyl4((4(3(N(1hydroxy2methylpropan2yl)sulfamoyl)4methylphenyl)phthalazin1yl)amino)benzoate
MFCD03290370
STK092878
ZINC02335045
ZINC2335045
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.