Vitas-M small molecule compound
6-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STK644979
SMILES COc1cc(CCc2nnc3n2nc(s3)c2ccc3c(c2)OCO3)ccc1OC
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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 C20H18N4O4S MW 410.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O4S/c1-25-14-6-3-12(9-16(14)26-2)4-8-18-21-22-20-24(18)23-19(29-20)13-5-7-15-17(10-13)28-11-27-15/h3,5-7,9-10H,4,8,11H2,1-2H3InChIKey
WOZKXYHYBDCAHA-UHFFFAOYSA-NSynonyms
951964-18-46(13benzodioxol5yl)3(2(34dimethoxyphenyl)ethyl)(124)triazolo(34b)(134)thiadiazole
6(benzo(d)(13)dioxol5yl)3(34dimethoxyphenethyl)(124)triazolo(34b)(134)thiadiazole
951964184
COC1=C(C=C(C=C1)CCC2=NN=C3N2N=C(S3)C4=CC5=C(C=C4)OCO5)OC
InChI=1SC20H18N4O4Sc125146312(916(14)262)481821222024(18)2319(2920)13571517(1013)28112715h357910H4811H212H3
MFCD09855789
ZINC000013723619
ZINC13723619
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