Vitas-M small molecule compound
5-[3-(4-chloro-2-methylphenoxy)propyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK447169
SMILES Clc1ccc(c(c1)C)OCCCc1nnc(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 C20H20ClN3O3S MW 417.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN3O3S/c1-13-11-14(21)4-6-16(13)25-8-2-3-19-22-23-20(28)24(19)15-5-7-17-18(12-15)27-10-9-26-17/h4-7,11-12H,2-3,8-10H2,1H3,(H,23,28)InChIKey
NXENEJOAKAKQHO-UHFFFAOYSA-NSynonyms
3(3(4chloro2methylphenoxy)propyl)4(23dihydro14benzodioxin6yl)1H124triazole5thione
4(2H3HBENZO(34E)14DIOXAN6YL)5(3(4CHLORO2METHYLPHENOXY)PROPYL)124TRIAZOLE3THIOL
5(3(4chloro2methylphenoxy)propyl)4(23dihydro14benzodioxin6yl)4H124triazole3thiol
CC1=C(C=CC(=C1)Cl)OCCCC2=NNC(=S)N2C3=CC4=C(C=C3)OCCO4
InChI=1SC20H20ClN3O3Sc1131114(21)4616(13)2582319222320(28)24(19)15571718(1215)271092617h471112H23810H21H3(H2328)
MFCD04059726
ZINC000006527822
ZINC06527822
ZINC6527822
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