Vitas-M small molecule compound

N-[2-methyl-5-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]butanamide

Catalog ID
STL042617
SMILES CCCC(=O)Nc1cc(ccc1C)c1nnc2n1nc(C)c1c2cccc1

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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 C21H21N5O MW 359.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O/c1-4-7-19(27)22-18-12-15(11-10-13(18)2)20-23-24-21-17-9-6-5-8-16(17)14(3)25-26(20)21/h5-6,8-12H,4,7H2,1-3H3,(H,22,27)
InChIKey
RPPLBXCPDOZQIC-UHFFFAOYSA-N
Synonyms
577695-40-0
577695400
CCCC(=O)NC1=C(C=CC(=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)C)C
InChI=1SC21H21N5Oc14719(27)22181215(111013(18)2)2023242117965816(17)14(3)2526(20)21h56812H47H213H3(H2227)
MFCD04027558
N(2methyl5(6methyl(124)triazolo(34a)phthalazin3yl)phenyl)butanamide
N(2methyl5(6methyl(124)triazolo(34a)phthalazin3yl)phenyl)butyramide
ZINC000002381253
ZINC02381253
ZINC2381253

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Available files

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