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-NSynonyms
1338653-91-01(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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