Vitas-M small molecule compound
1-(1,3-benzodioxol-5-yl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid
Catalog ID
STL130106
SMILES CCc1c(nnn1c1ccc2c(c1)OCO2)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 C12H11N3O4 MW 261.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N3O4/c1-2-8-11(12(16)17)13-14-15(8)7-3-4-9-10(5-7)19-6-18-9/h3-5H,2,6H2,1H3,(H,16,17)InChIKey
OUCDWPASTMKSJR-UHFFFAOYSA-NSynonyms
1096980-40-31(13benzodioxol5yl)5ethyl1H123triazole4carboxylicacid
1(13benzodioxol5yl)5ethyltriazole4carboxylicacid
1096980403
CCC1=C(N=NN1C2=CC3=C(C=C2)OCO3)C(=O)O
InChI=1SC12H11N3O4c12811(12(16)17)131415(8)734910(57)196189h35H26H21H3(H1617)
MFCD12633398
ZINC000037312282
ZINC37312282
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