Vitas-M small molecule compound
5-[(2,4-dichlorophenoxy)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL429839
SMILES Clc1ccc(c(c1)Cl)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/c18-10-1-3-13(12(19)7-10)25-9-16-20-21-17(26)22(16)11-2-4-14-15(8-11)24-6-5-23-14/h1-4,7-8H,5-6,9H2,(H,21,26)InChIKey
IRPLVOHWVACGQG-UHFFFAOYSA-NSynonyms
3((24dichlorophenoxy)methyl)4(23dihydro14benzodioxin6yl)1H124triazole5thione
4(2H3HBENZO(34E)14DIOXAN6YL)5((24DICHLOROPHENOXY)METHYL)124TRIAZOLE3THIOL
5((24dichlorophenoxy)methyl)4(23dihydro14benzodioxin6yl)4H124triazole3thiol
C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)COC4=C(C=C(C=C4)Cl)Cl
InChI=1SC17H13Cl2N3O3Sc18101313(12(19)710)25916202117(26)22(16)11241415(811)24652314h1478H569H2(H2126)
MFCD04059539
ZINC000006402649
ZINC06402649
ZINC6402649
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