Vitas-M small molecule compound

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

Catalog ID
STL130047
SMILES OC(=O)c1nnn(c1C)c1ccc2c(c1)OCCO2

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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 C12H11N3O4 MW 261.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N3O4/c1-7-11(12(16)17)13-14-15(7)8-2-3-9-10(6-8)19-5-4-18-9/h2-3,6H,4-5H2,1H3,(H,16,17)
InChIKey
SPUKSOAJZKGHPL-UHFFFAOYSA-N
Synonyms
1097017-99-6
1(23dihydro14benzodioxin6yl)5methyl1H123triazole4carboxylicacid
1(23dihydro14benzodioxin6yl)5methyltriazole4carboxylicacid
1097017996
CC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)O
InChI=1SC12H11N3O4c1711(12(16)17)131415(7)823910(68)1954189h236H45H21H3(H1617)
MFCD12540701
ZINC000037337168
ZINC37337168

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Available files

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