Vitas-M small molecule compound
2-({5-[(1,3-benzodioxol-5-yloxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-fluorophenyl)ethanone
Catalog ID
STK807893
SMILES Fc1ccc(cc1)C(=O)CSc1nnc(n1C)COc1ccc2c(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 C19H16FN3O4S MW 401.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16FN3O4S/c1-23-18(9-25-14-6-7-16-17(8-14)27-11-26-16)21-22-19(23)28-10-15(24)12-2-4-13(20)5-3-12/h2-8H,9-11H2,1H3InChIKey
YTHIUVFNPOTPNR-UHFFFAOYSA-NSynonyms
2((5((13benzodioxol5yloxy)methyl)4methyl4H124triazol3yl)sulfanyl)1(4fluorophenyl)ethanone
2((5(13BENZODIOXOL5YLOXYMETHYL)4METHYL124TRIAZOL3YL)SULFANYL)1(4FLUOROPHENYL)ETHANONE
2(5(2HBENZO(34D)13DIOXOLAN5YLOXYMETHYL)4METHYL(124TRIAZOL3YLTHIO))1(4FLUOROPHENYL)ETHAN1ONE
CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4
InChI=1SC19H16FN3O4Sc12318(92514671617(814)27112616)212219(23)281015(24)122413(20)5312h28H911H21H3
MFCD06750978
ZINC000004942545
ZINC04942545
ZINC4942545
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