Vitas-M small molecule compound

3-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(E)-2-phenylethenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Catalog ID
STK654692
SMILES COc1cc(CCc2nnc3n2nc(s3)/C=C/c2ccccc2)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 C21H20N4O2S MW 392.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O2S/c1-26-17-11-8-16(14-18(17)27-2)9-12-19-22-23-21-25(19)24-20(28-21)13-10-15-6-4-3-5-7-15/h3-8,10-11,13-14H,9,12H2,1-2H3/b13-10+
InChIKey
CJLPFTNXUMPITM-JLHYYAGUSA-N
Synonyms
951924-71-3
(E)3(34dimethoxyphenethyl)6styryl(124)triazolo(34b)(134)thiadiazole
3(2(34dimethoxyphenyl)ethyl)6((E)2phenylethenyl)(124)triazolo(34b)(134)thiadiazole
951924713
COC1=C(C=C(C=C1)CCC2=NN=C3N2N=C(S3)C=CC4=CC=CC=C4)OC
COc1cc(CCc2nnc3n2nc(s3)C=Cc2ccccc2)ccc1OC
InChI=1SC21H20N4O2Sc1261711816(1418(17)272)9121922232125(19)2420(2821)1310156435715h3810111314H912H212H3b1310+
MFCD09853783
ZINC000013692918
ZINC13692918

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Available files

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