Vitas-M small molecule compound

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

Catalog ID
STL143139
SMILES COCc1c(nnn1c1ccc2c(c1)OCCO2)C(=O)O

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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 C13H13N3O5 MW 291.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O5/c1-19-7-9-12(13(17)18)14-15-16(9)8-2-3-10-11(6-8)21-5-4-20-10/h2-3,6H,4-5,7H2,1H3,(H,17,18)
InChIKey
XPYBQEOYVHUUBV-UHFFFAOYSA-N
Synonyms
1338653-91-0
1(23dihydro14benzodioxin6yl)5(methoxymethyl)1H123triazole4carboxylicacid
1(23dihydro14benzodioxin6yl)5(methoxymethyl)triazole4carboxylicacid
1338653910
COCC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)O
InChI=1SC13H13N3O5c1197912(13(17)18)141516(9)8231011(68)21542010h236H457H21H3(H1718)
MFCD20748239
ZINC000065288239
ZINC65288239

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Available files

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