Vitas-M small molecule compound

methyl 4-({[2-(naphthalen-1-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetyl}amino)benzoate

Catalog ID
STL124374
SMILES COC(=O)c1ccc(cc1)NC(=O)Cn1ncn2c(c1=O)cc(n2)c1cccc2c1cccc2

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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 C25H19N5O4 MW 453.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N5O4/c1-34-25(33)17-9-11-18(12-10-17)27-23(31)14-29-24(32)22-13-21(28-30(22)15-26-29)20-8-4-6-16-5-2-3-7-19(16)20/h2-13,15H,14H2,1H3,(H,27,31)
InChIKey
RXAYONHCEVGYSW-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC(=NN3C=N2)C4=CC=CC5=CC=CC=C54
InChI=1SC25H19N5O4c13425(33)1791118(121017)2723(31)142924(32)221321(2830(22)152629)2084616523719(16)20h21315H14H21H3(H2731)
methyl4(((2(naphthalen1yl)4oxopyrazolo(15d)(124)triazin5(4H)yl)acetyl)amino)benzoate
methyl4((2(2naphthalen1yl4oxopyrazolo(15d)(124)triazin5yl)acetyl)amino)benzoate
MFCD20732838
ZINC000067208580
ZINC67208580

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Available files

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