Vitas-M small molecule compound
5-[1-(3-chlorophenoxy)propyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK447432
SMILES CCC(c1nnc(n1c1ccc2c(c1)OCCO2)S)Oc1cccc(c1)Cl
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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 C19H18ClN3O3S MW 403.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN3O3S/c1-2-15(26-14-5-3-4-12(20)10-14)18-21-22-19(27)23(18)13-6-7-16-17(11-13)25-9-8-24-16/h3-7,10-11,15H,2,8-9H2,1H3,(H,22,27)InChIKey
KLVCDACCIOMLNK-UHFFFAOYSA-NSynonyms
3(1(3chlorophenoxy)propyl)4(23dihydro14benzodioxin6yl)1H124triazole5thione
4(2H3HBENZO(34E)14DIOXAN6YL)5((3CHLOROPHENOXY)PROPYL)124TRIAZOLE3THIOL
5(1(3chlorophenoxy)propyl)4(23dihydro14benzodioxin6yl)4H124triazole3thiol
CCC(C1=NNC(=S)N1C2=CC3=C(C=C2)OCCO3)OC4=CC(=CC=C4)Cl
InChI=1SC19H18ClN3O3Sc1215(261453412(20)1014)18212219(27)23(18)13671617(1113)25982416h37101115H289H21H3(H2227)
MFCD04059523
ZINC000006394185
ZINC000006394406
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