Vitas-M small molecule compound
2-({5-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-fluorophenyl)ethanone
Catalog ID
STK807846
SMILES COc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)F)nnc1COc1ccc2c(c1)OCO2
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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 C25H20FN3O5S MW 493.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20FN3O5S/c1-31-19-8-6-18(7-9-19)29-24(13-32-20-10-11-22-23(12-20)34-15-33-22)27-28-25(29)35-14-21(30)16-2-4-17(26)5-3-16/h2-12H,13-15H2,1H3InChIKey
AUCQOBXIJATSSL-UHFFFAOYSA-NSynonyms
2((5((13benzodioxol5yloxy)methyl)4(4methoxyphenyl)4H124triazol3yl)sulfanyl)1(4fluorophenyl)ethanone
2((5(13benzodioxol5yloxymethyl)4(4methoxyphenyl)124triazol3yl)sulfanyl)1(4fluorophenyl)ethanone
2(5(2HBENZO(34D)13DIOXOLAN5YLOXYMETHYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))1(4FLUOROPHENYL)ETHAN1ONE
COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)F)COC4=CC5=C(C=C4)OCO5
InChI=1SC25H20FN3O5Sc131198618(7919)2924(13322010112223(1220)34153322)272825(29)351421(30)162417(26)5316h212H1315H21H3
MFCD06407552
ZINC000016754160
ZINC16754160
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