Vitas-M small molecule compound
ethyl ({5-(4-chlorophenyl)-4-[4-(propan-2-yl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Catalog ID
STK691127
SMILES CCOC(=O)CSc1nnc(n1c1ccc(cc1)C(C)C)c1ccc(cc1)Cl
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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 C21H22ClN3O2S MW 415.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3O2S/c1-4-27-19(26)13-28-21-24-23-20(16-5-9-17(22)10-6-16)25(21)18-11-7-15(8-12-18)14(2)3/h5-12,14H,4,13H2,1-3H3InChIKey
ODNXENUOGDOEKS-UHFFFAOYSA-NSynonyms
CCOC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)C(C)C)C3=CC=C(C=C3)Cl
ethyl((5(4chlorophenyl)4(4(propan2yl)phenyl)4H124triazol3yl)sulfanyl)acetate
ethyl2((5(4chlorophenyl)4(4propan2ylphenyl)124triazol3yl)sulfanyl)acetate
InChI=1SC21H22ClN3O2Sc142719(26)132821242320(165917(22)10616)25(21)1811715(81218)14(2)3h51214H413H213H3
MFCD09064155
ZINC000012413415
ZINC12413415
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