Vitas-M small molecule compound
5-[(4-chloro-2-methylphenoxy)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK447154
SMILES Clc1ccc(c(c1)C)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 C18H16ClN3O3S MW 389.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN3O3S/c1-11-8-12(19)2-4-14(11)25-10-17-20-21-18(26)22(17)13-3-5-15-16(9-13)24-7-6-23-15/h2-5,8-9H,6-7,10H2,1H3,(H,21,26)InChIKey
YELGEMOSNAZRNP-UHFFFAOYSA-NSynonyms
3((4chloro2methylphenoxy)methyl)4(23dihydro14benzodioxin6yl)1H124triazole5thione
4(2H3HBENZO(34E)14DIOXAN6YL)5((4CHLORO2METHYLPHENOXY)METHYL)124TRIAZOLE3THIOL
5((4chloro2methylphenoxy)methyl)4(23dihydro14benzodioxin6yl)4H124triazole3thiol
CC1=C(C=CC(=C1)Cl)OCC2=NNC(=S)N2C3=CC4=C(C=C3)OCCO4
InChI=1SC18H16ClN3O3Sc111812(19)2414(11)251017202118(26)22(17)13351516(913)24762315h2589H6710H21H3(H2126)
MFCD04059600
ZINC000006527823
ZINC06527823
ZINC6527823
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