Vitas-M small molecule compound
5-[(2,3-dichlorophenoxy)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK447173
SMILES Clc1cccc(c1Cl)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 C17H13Cl2N3O3S MW 410.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13Cl2N3O3S/c18-11-2-1-3-13(16(11)19)25-9-15-20-21-17(26)22(15)10-4-5-12-14(8-10)24-7-6-23-12/h1-5,8H,6-7,9H2,(H,21,26)InChIKey
ZZTZRDUWAKSZCS-UHFFFAOYSA-NSynonyms
3((23dichlorophenoxy)methyl)4(23dihydro14benzodioxin6yl)1H124triazole5thione
4(2H3HBENZO(34E)14DIOXAN6YL)5((23DICHLOROPHENOXY)METHYL)124TRIAZOLE3THIOL
5((23dichlorophenoxy)methyl)4(23dihydro14benzodioxin6yl)4H124triazole3thiol
C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)COC4=C(C(=CC=C4)Cl)Cl
InChI=1SC17H13Cl2N3O3Sc181121313(16(11)19)25915202117(26)22(15)10451214(810)24762312h158H679H2(H2126)
MFCD04059666
ZINC000006828635
ZINC06828635
ZINC6828635
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