Vitas-M small molecule compound
5-[5-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]-2-methoxyphenol
Catalog ID
STL435443
SMILES COc1ccc(cc1O)c1nnc([nH]1)c1cc(OC)c2c(c1OC)OCO2
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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 C18H17N3O6 MW 371.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O6/c1-23-12-5-4-9(6-11(12)22)17-19-18(21-20-17)10-7-13(24-2)15-16(14(10)25-3)27-8-26-15/h4-7,22H,8H2,1-3H3,(H,19,20,21)InChIKey
YPDKEICMYFAYCN-UHFFFAOYSA-NSynonyms
5(5(47dimethoxy13benzodioxol5yl)1H124triazol3yl)2methoxyphenol
5(5(47dimethoxy13benzodioxol5yl)4H124triazol3yl)2methoxyphenol
COC1=C(C=C(C=C1)C2=NNC(=N2)C3=CC(=C4C(=C3OC)OCO4)OC)O
COc1ccc(cc1O)c1nnc((nH)1)c1cc(OC)c2c(c1OC)OCO2
InChI=1SC18H17N3O6c12312549(611(12)22)171918(212017)10713(242)1516(14(10)253)2782615h4722H8H213H3(H192021)
MFCD26097752
ZINC000066087945
ZINC66087945
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