Vitas-M small molecule compound
2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide
Catalog ID
STK139999
SMILES CCn1c(SCC(=O)Nc2c(Cl)cc(cc2Cl)Cl)nnc1COc1ccc(cc1)C(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 C22H23Cl3N4O2S MW 513.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23Cl3N4O2S/c1-4-29-19(11-31-16-7-5-14(6-8-16)13(2)3)27-28-22(29)32-12-20(30)26-21-17(24)9-15(23)10-18(21)25/h5-10,13H,4,11-12H2,1-3H3,(H,26,30)InChIKey
VGTVDFQDPNFGAM-UHFFFAOYSA-NSynonyms
2((4ETHYL5((4(PROPAN2YL)PHENOXY)METHYL)4H124TRIAZOL3YL)SULFANYL)N(246TRICHLOROPHENYL)ACETAMIDE
2((4ETHYL5((4PROPAN2YLPHENOXY)METHYL)124TRIAZOL3YL)SULFANYL)N(246TRICHLOROPHENYL)ACETAMIDE
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2Cl)Cl)Cl)COC3=CC=C(C=C3)C(C)C
InChI=1SC22H23Cl3N4O2Sc142919(1131167514(6816)13(2)3)272822(29)321220(30)262117(24)915(23)1018(21)25h51013H41112H213H3(H2630)
MFCD04212113
ZINC000002840405
ZINC02840405
ZINC2840405
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