Vitas-M small molecule compound
2-({3-[2-(3,4-dimethoxyphenyl)ethyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}methyl)-1H-isoindole-1,3(2H)-dione
Catalog ID
STL350991
SMILES COc1cc(CCc2nnc3n2nc(s3)CN2C(=O)c3c(C2=O)cccc3)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 C22H19N5O4S MW 449.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O4S/c1-30-16-9-7-13(11-17(16)31-2)8-10-18-23-24-22-27(18)25-19(32-22)12-26-20(28)14-5-3-4-6-15(14)21(26)29/h3-7,9,11H,8,10,12H2,1-2H3InChIKey
BFFKURAZKWAKRW-UHFFFAOYSA-NSynonyms
951999-65-82((3(2(34dimethoxyphenyl)ethyl)(124)triazolo(34b)(134)thiadiazol6yl)methyl)1Hisoindole13(2H)dione
2((3(2(34dimethoxyphenyl)ethyl)(124)triazolo(34b)(134)thiadiazol6yl)methyl)isoindole13dione
2((3(34dimethoxyphenethyl)(124)triazolo(34b)(134)thiadiazol6yl)methyl)isoindoline13dione
951999658
COC1=C(C=C(C=C1)CCC2=NN=C3N2N=C(S3)CN4C(=O)C5=CC=CC=C5C4=O)OC
InChI=1SC22H19N5O4Sc130169713(1117(16)312)8101823242227(18)2519(3222)122620(28)14534615(14)21(26)29h37911H81012H212H3
MFCD09854390
ZINC000013718399
ZINC13718399
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