Vitas-M small molecule compound
N-[(E)-{5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]furan-2-yl}methylidene]-3-(ethylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STL173537
SMILES CCSc1nnc(n1/N=C/c1ccc(o1)COc1ccc2c(c1)CCC2)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 C20H19F3N4O2S MW 436.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19F3N4O2S/c1-2-30-19-26-25-18(20(21,22)23)27(19)24-11-16-8-9-17(29-16)12-28-15-7-6-13-4-3-5-14(13)10-15/h6-11H,2-5,12H2,1H3/b24-11+InChIKey
IHTUMOQNOTVFPF-BHGWPJFGSA-NSynonyms
866742-15-6(E)1(5(23dihydro1Hinden5yloxymethyl)furan2yl)N(3ethylsulfanyl5(trifluoromethyl)124triazol4yl)methanimine
866742156
CCSC1=NN=C(N1N=CC2=CC=C(O2)COC3=CC4=C(CCC4)C=C3)C(F)(F)F
CCSc1nnc(n1N=Cc1ccc(o1)COc1ccc2c(c1)CCC2)C(F)(F)F
InChI=1SC20H19F3N4O2Sc123019262518(20(2122)23)27(19)2411168917(2916)122815761343514(13)1015h611H2512H21H3b2411+
MFCD08552891
N((E)(5((23dihydro1Hinden5yloxy)methyl)furan2yl)methylidene)3(ethylsulfanyl)5(trifluoromethyl)4H124triazol4amine
ZINC000036611465
ZINC96576894
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