Vitas-M small molecule compound
2-({5-[(1,3-benzodioxol-5-yloxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-fluorophenyl)ethanone
Catalog ID
STK807291
SMILES CCn1c(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 C20H18FN3O4S MW 415.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18FN3O4S/c1-2-24-19(10-26-15-7-8-17-18(9-15)28-12-27-17)22-23-20(24)29-11-16(25)13-3-5-14(21)6-4-13/h3-9H,2,10-12H2,1H3InChIKey
YRBDYIOSTCRNBO-UHFFFAOYSA-NSynonyms
612525-99-22((5((13benzodioxol5yloxy)methyl)4ethyl4H124triazol3yl)sulfanyl)1(4fluorophenyl)ethanone
2((5((BENZO(D)(13)DIOXOL5YLOXY)METHYL)4ETHYL4H124TRIAZOL3YL)THIO)1(4FLUOROPHENYL)ETHANONE
2((5(13BENZODIOXOL5YLOXYMETHYL)4ETHYL124TRIAZOL3YL)SULFANYL)1(4FLUOROPHENYL)ETHANONE
2(5(2HBENZO(34D)13DIOXOLAN5YLOXYMETHYL)4ETHYL(124TRIAZOL3YLTHIO))1(4FLUOROPHENYL)ETHAN1ONE
612525992
CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4
InChI=1SC20H18FN3O4Sc122419(102615781718(915)28122717)222320(24)291116(25)133514(21)6413h39H21012H21H3
MFCD03837978
ZINC000000702910
ZINC00702910
ZINC702910
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