Vitas-M small molecule compound

(6-bromo-1,3-benzodioxol-5-yl)methyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate

Catalog ID
STK780404
SMILES O=C(c1nn(nc1N)c1ccccc1)OCc1cc2OCOc2cc1Br

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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 C17H13BrN4O4 MW 417.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13BrN4O4/c18-12-7-14-13(25-9-26-14)6-10(12)8-24-17(23)15-16(19)21-22(20-15)11-4-2-1-3-5-11/h1-7H,8-9H2,(H2,19,21)
InChIKey
NSXFYTHVLMHQJH-UHFFFAOYSA-N
Synonyms

(6bromo13benzodioxol5yl)methyl5amino2phenyl2H123triazole4carboxylate
(6BROMO13BENZODIOXOL5YL)METHYL5AMINO2PHENYLTRIAZOLE4CARBOXYLATE
C1OC2=C(O1)C=C(C(=C2)COC(=O)C3=NN(N=C3N)C4=CC=CC=C4)Br
InChI=1SC17H13BrN4O4c181271413(2592614)610(12)82417(23)1516(19)2122(2015)114213511h17H89H2(H21921)
MFCD05860366
ZINC000012377160
ZINC12377160

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Available files

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