Vitas-M small molecule compound
5-[1-(1,3-benzodioxol-5-yloxy)ethyl]-4-(4-chlorobenzyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK450287
SMILES Clc1ccc(cc1)Cn1c(S)nnc1C(Oc1ccc2c(c1)OCO2)C
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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(25-14-6-7-15-16(8-14)24-10-23-15)17-20-21-18(26)22(17)9-12-2-4-13(19)5-3-12/h2-8,11H,9-10H2,1H3,(H,21,26)InChIKey
FGABTBNFFOXTLQ-UHFFFAOYSA-NSynonyms
3(1(13benzodioxol5yloxy)ethyl)4((4chlorophenyl)methyl)1H124triazole5thione
5(1(13benzodioxol5yloxy)ethyl)4(4chlorobenzyl)4H124triazole3thiol
5(2HBENZO(34D)13DIOXOLAN5YLOXYETHYL)4((4CHLOROPHENYL)METHYL)124TRIAZOLE3THIOL
CC(C1=NNC(=S)N1CC2=CC=C(C=C2)Cl)OC3=CC4=C(C=C3)OCO4
InChI=1SC18H16ClN3O3Sc111(2514671516(814)24102315)17202118(26)22(17)9122413(19)5312h2811H910H21H3(H2126)
MFCD06194977
ZINC000017079560
ZINC000017079561
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