Vitas-M small molecule compound

methyl [4-({[4-(4-methylphenyl)-1-oxophthalazin-2(1H)-yl]acetyl}amino)phenoxy]acetate

Catalog ID
STK767893
SMILES COC(=O)COc1ccc(cc1)NC(=O)Cn1nc(c2ccc(cc2)C)c2c(c1=O)cccc2

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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 C26H23N3O5 MW 457.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O5/c1-17-7-9-18(10-8-17)25-21-5-3-4-6-22(21)26(32)29(28-25)15-23(30)27-19-11-13-20(14-12-19)34-16-24(31)33-2/h3-14H,15-16H2,1-2H3,(H,27,30)
InChIKey
IUBNQOKOAOZDSM-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NC4=CC=C(C=C4)OCC(=O)OC
InChI=1SC26H23N3O5c1177918(10817)2521534622(21)26(32)29(2825)1523(30)2719111320(141219)341624(31)332h314H1516H212H3(H2730)
methyl(4(((4(4methylphenyl)1oxophthalazin2(1H)yl)acetyl)amino)phenoxy)acetate
METHYL2(4((2(4(4METHYLPHENYL)1OXOPHTHALAZIN2YL)ACETYL)AMINO)PHENOXY)ACETATE
MFCD03133925
ZINC000001070671
ZINC01070671
ZINC1070671

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Available files

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