Vitas-M small molecule compound

methyl 4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoate

Catalog ID
STK716438
SMILES COC(=O)CCCn1nnc2c(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 C12H13N3O3 MW 247.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3O3/c1-18-11(16)7-4-8-15-12(17)9-5-2-3-6-10(9)13-14-15/h2-3,5-6H,4,7-8H2,1H3
InChIKey
RGWUXRWFVZUABA-UHFFFAOYSA-N
Synonyms
929972-09-8
929972098
COC(=O)CCCN1C(=O)C2=CC=CC=C2N=N1
InChI=1SC12H13N3O3c11811(16)7481512(17)9523610(9)131415h2356H478H21H3
methyl4(4oxo123benzotriazin3(4H)yl)butanoate
methyl4(4oxo123benzotriazin3yl)butanoate
METHYL4(4OXOBENZO(D)(123)TRIAZIN3(4H)YL)BUTANOATE
MFCD09794932
ZINC000009053812
ZINC09053812
ZINC9053812

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Available files

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