Vitas-M small molecule compound
3-(3,4-dimethoxyphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STK274062
SMILES COc1ccc(cc1OC)c1nnc2n1nc(s2)Cc1ccc2c(c1)CCCC2
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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 C22H22N4O2S MW 406.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S/c1-27-18-10-9-17(13-19(18)28-2)21-23-24-22-26(21)25-20(29-22)12-14-7-8-15-5-3-4-6-16(15)11-14/h7-11,13H,3-6,12H2,1-2H3InChIKey
GMAISTFURLARKC-UHFFFAOYSA-NSynonyms
3(34dimethoxyphenyl)6(5678tetrahydronaphthalen2ylmethyl)(124)triazolo(34b)(134)thiadiazole
COC1=C(C=C(C=C1)C2=NN=C3N2N=C(S3)CC4=CC5=C(CCCC5)C=C4)OC
InChI=1SC22H22N4O2Sc1271810917(1319(18)282)2123242226(21)2520(2922)12147815534616(15)1114h71113H3612H212H3
MFCD09268364
ZINC000009615177
ZINC09615177
ZINC9615177
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