Vitas-M small molecule compound
2-({5-[4-(difluoromethoxy)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
Catalog ID
STK306898
SMILES CCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1c1ccc(cc1)OC(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 C21H19F2N3O4S MW 447.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19F2N3O4S/c1-2-26-19(13-3-6-15(7-4-13)30-20(22)23)24-25-21(26)31-12-16(27)14-5-8-17-18(11-14)29-10-9-28-17/h3-8,11,20H,2,9-10,12H2,1H3InChIKey
SITKZQYTNJDFKR-UHFFFAOYSA-NSynonyms
828285-84-32((5(4(DIFLUOROMETHOXY)PHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)1(23DIHYDRO14BENZODIOXIN6YL)ETHANONE
2((5(4(difluoromethoxy)phenyl)4ethyl4H124triazol3yl)sulfanyl)1(23dihydro14benzodioxin6yl)ethanone
828285843
CCN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)OC(F)F
InChI=1SC21H19F2N3O4Sc122619(133615(7413)3020(22)23)242521(26)311216(27)14581718(1114)291092817h381120H291012H21H3
MFCD04053643
ZINC000002792130
ZINC02792130
ZINC2792130
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