Vitas-M small molecule compound
2-(3,4-dimethylphenoxy)-N-[2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
Catalog ID
STK345699
SMILES O=C(Nc1cc(ccc1C)c1sc2n(n1)c(nn2)C)COc1ccc(c(c1)C)C
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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 C21H21N5O2S MW 407.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O2S/c1-12-6-8-17(9-14(12)3)28-11-19(27)22-18-10-16(7-5-13(18)2)20-25-26-15(4)23-24-21(26)29-20/h5-10H,11H2,1-4H3,(H,22,27)InChIKey
XNSXGZCPKQXESY-UHFFFAOYSA-NSynonyms
2(34dimethylphenoxy)N(2methyl5(3methyl(124)triazolo(34b)(134)thiadiazol6yl)phenyl)acetamide
CC1=C(C=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)C3=NN4C(=NN=C4S3)C)C)C
InChI=1SC21H21N5O2Sc1126817(914(12)3)281119(27)22181016(7513(18)2)20252615(4)232421(26)2920h510H11H214H3(H2227)
MFCD04390271
ZINC000006477995
ZINC06477995
ZINC6477995
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