Vitas-M small molecule compound
N-[(E)-{5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]furan-2-yl}methylidene]-3-(ethylsulfanyl)-5-methyl-4H-1,2,4-triazol-4-amine
Catalog ID
STL173233
SMILES CCSc1nnc(n1/N=C/c1ccc(o1)COc1ccc2c(c1)CCC2)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 C20H22N4O2S MW 382.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O2S/c1-3-27-20-23-22-14(2)24(20)21-12-18-9-10-19(26-18)13-25-17-8-7-15-5-4-6-16(15)11-17/h7-12H,3-6,13H2,1-2H3/b21-12+InChIKey
MSDZZOLFFPHSNE-CIAFOILYSA-NSynonyms
866743-20-6(E)1(5(23dihydro1Hinden5yloxymethyl)furan2yl)N(3ethylsulfanyl5methyl124triazol4yl)methanimine
866743206
CCSC1=NN=C(N1N=CC2=CC=C(O2)COC3=CC4=C(CCC4)C=C3)C
CCSc1nnc(n1N=Cc1ccc(o1)COc1ccc2c(c1)CCC2)C
InChI=1SC20H22N4O2Sc132720232214(2)24(20)21121891019(2618)132517871554616(15)1117h712H3613H212H3b2112+
MFCD06196127
N((E)(5((23dihydro1Hinden5yloxy)methyl)furan2yl)methylidene)3(ethylsulfanyl)5methyl4H124triazol4amine
ZINC000036611511
ZINC96569522
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