Vitas-M small molecule compound
5-[5-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]-2-methoxyphenol
Catalog ID
STL435446
SMILES COc1ccc(cc1O)c1nnc([nH]1)c1cc2OCOc2c(c1OC)OC
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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)10-7-13-15(27-8-26-13)16(25-3)14(10)24-2/h4-7,22H,8H2,1-3H3,(H,19,20,21)InChIKey
NJTVSFLQUZKELO-UHFFFAOYSA-NSynonyms
5(5(67dimethoxy13benzodioxol5yl)1H124triazol3yl)2methoxyphenol
5(5(67dimethoxy13benzodioxol5yl)4H124triazol3yl)2methoxyphenol
COC1=C(C=C(C=C1)C2=NNC(=N2)C3=CC4=C(C(=C3OC)OC)OCO4)O
COc1ccc(cc1O)c1nnc((nH)1)c1cc2OCOc2c(c1OC)OC
InChI=1SC18H17N3O6c12312549(611(12)22)171918(212017)1071315(2782613)16(253)14(10)242h4722H8H213H3(H192021)
MFCD25975334
ZINC000066087954
ZINC66087954
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