Vitas-M small molecule compound
2-(3,5-dimethylphenoxy)-N-[2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
Catalog ID
STK336996
SMILES O=C(Nc1cc(ccc1C)c1sc2n(n1)c(nn2)C)COc1cc(C)cc(c1)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/c1-12-7-13(2)9-17(8-12)28-11-19(27)22-18-10-16(6-5-14(18)3)20-25-26-15(4)23-24-21(26)29-20/h5-10H,11H2,1-4H3,(H,22,27)InChIKey
KDGKWYUBUNCUHX-UHFFFAOYSA-NSynonyms
2(35dimethylphenoxy)N(2methyl5(3methyl(124)triazolo(34b)(134)thiadiazol6yl)phenyl)acetamide
CC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)C)NC(=O)COC4=CC(=CC(=C4)C)C
InChI=1SC21H21N5O2Sc112713(2)917(812)281119(27)22181016(6514(18)3)20252615(4)232421(26)2920h510H11H214H3(H2227)
MFCD04400231
ZINC000006478221
ZINC06478221
ZINC6478221
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