Vitas-M small molecule compound
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK447177
SMILES Clc1c(C)cc(cc1C)OCc1nnc(n1c1ccc2c(c1)OCCO2)S
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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 C19H18ClN3O3S MW 403.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN3O3S/c1-11-7-14(8-12(2)18(11)20)26-10-17-21-22-19(27)23(17)13-3-4-15-16(9-13)25-6-5-24-15/h3-4,7-9H,5-6,10H2,1-2H3,(H,22,27)InChIKey
TZLDRUATRPUGJM-UHFFFAOYSA-NSynonyms
3((4chloro35dimethylphenoxy)methyl)4(23dihydro14benzodioxin6yl)1H124triazole5thione
4(2H3HBENZO(34E)14DIOXAN6YL)5((4CHLORO35DIMETHYLPHENOXY)METHYL)124TRIAZOLE3THIOL
5((4chloro35dimethylphenoxy)methyl)4(23dihydro14benzodioxin6yl)4H124triazole3thiol
CC1=CC(=CC(=C1Cl)C)OCC2=NNC(=S)N2C3=CC4=C(C=C3)OCCO4
InChI=1SC19H18ClN3O3Sc111714(812(2)18(11)20)261017212219(27)23(17)13341516(913)25652415h3479H5610H212H3(H2227)
MFCD04059949
ZINC000006527790
ZINC06527790
ZINC6527790
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