Vitas-M small molecule compound
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(3,5-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL416238
SMILES COc1cc(OC)cc(c1)c1nnc(n1CC)SCC(=O)Nc1cc(ccc1Cl)C(F)(F)F
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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 C21H20ClF3N4O3S MW 500.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClF3N4O3S/c1-4-29-19(12-7-14(31-2)10-15(8-12)32-3)27-28-20(29)33-11-18(30)26-17-9-13(21(23,24)25)5-6-16(17)22/h5-10H,4,11H2,1-3H3,(H,26,30)InChIKey
LIZZBMXDOZUUIR-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C3=CC(=CC(=C3)OC)OC
InChI=1SC21H20ClF3N4O3Sc142919(12714(312)1015(812)323)272820(29)331118(30)2617913(21(2324)25)5616(17)22h510H411H213H3(H2630)
MFCD05842058
N(2CHLORO5(TRIFLUOROMETHYL)PHENYL)2((5(35DIMETHOXYPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2chloro5(trifluoromethyl)phenyl)2((5(35dimethoxyphenyl)4ethyl4H124triazol3yl)sulfanyl)acetamide
ZINC000002883392
ZINC02883392
ZINC2883392
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