Vitas-M small molecule compound

methyl 4-(3-methyl-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-6-yl)benzoate

Catalog ID
STK746802
SMILES COC(=O)c1ccc(cc1)c1[nH]n2c(n1)nnc2C

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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 C12H11N5O2 MW 257.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N5O2/c1-7-14-15-12-13-10(16-17(7)12)8-3-5-9(6-4-8)11(18)19-2/h3-6H,1-2H3,(H,13,15,16)
InChIKey
OTYJEXWBPUHQCO-UHFFFAOYSA-N
Synonyms

CC1=NN=C2N1NC(=N2)C3=CC=C(C=C3)C(=O)OC
COC(=O)c1ccc(cc1)c1(nH)n2c(n1)nnc2C
InChI=1SC12H11N5O2c171415121310(1617(7)12)8359(648)11(18)192h36H12H3(H131516)
methyl4(3methyl5H(124)triazolo(43b)(124)triazol6yl)benzoate
MFCD00501891
ZINC000000340433
ZINC00340433
ZINC340433

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Available files

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