Vitas-M small molecule compound
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK328992
SMILES COc1c(OC)cc(cc1OC)c1nnc(n1c1ccc2c(c1)OCCO2)S
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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 C19H19N3O5S MW 401.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O5S/c1-23-15-8-11(9-16(24-2)17(15)25-3)18-20-21-19(28)22(18)12-4-5-13-14(10-12)27-7-6-26-13/h4-5,8-10H,6-7H2,1-3H3,(H,21,28)InChIKey
LOWOPBLAINIXGR-UHFFFAOYSA-NSynonyms
878418-71-44(23DIHYDRO14BENZODIOXIN6YL)3(345TRIMETHOXYPHENYL)1H124TRIAZOLE5THIONE
4(23dihydro14benzodioxin6yl)5(345trimethoxyphenyl)4H124triazole3thiol
878418714
COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2C3=CC4=C(C=C3)OCCO4
InChI=1SC19H19N3O5Sc12315811(916(242)17(15)253)18202119(28)22(18)12451314(1012)27762613h45810H67H213H3(H2128)
MFCD06617715
ZINC000006136340
ZINC06136340
ZINC6136340
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