Vitas-M small molecule compound

(3-amino-4H-1,2,4-triazol-4-yl)(1,3-benzodioxol-5-yl)methanone

Catalog ID
STK124563
SMILES Nc1nncn1C(=O)c1ccc2c(c1)OCO2

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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 C10H8N4O3 MW 232.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H8N4O3/c11-10-13-12-4-14(10)9(15)6-1-2-7-8(3-6)17-5-16-7/h1-4H,5H2,(H2,11,13)
InChIKey
KBSHYXAWSVMNTM-UHFFFAOYSA-N
Synonyms
676462-74-1
(3AMINO(124)TRIAZOL4YL)BENZO(13)DIOXOL5YLMETHANONE
(3AMINO124TRIAZOL4YL)(13BENZODIOXOL5YL)METHANONE
(3AMINO4H124TRIAZOL4YL)(13BENZODIOXOL5YL)METHANONE
(3amino4H124triazol4yl)(benzo(d)(13)dioxol5yl)methanone
2HBENZO(34D)13DIOXOLEN5YL3AMINO(124TRIAZOL4YL)KETONE
676462741
C1OC2=C(O1)C=C(C=C2)C(=O)N3C=NN=C3N
InChI=1SC10H8N4O3c11101312414(10)9(15)61278(36)175167h14H5H2(H21113)
MFCD03996226
ZINC000000099557
ZINC00099557
ZINC99557

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Available files

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