Vitas-M small molecule compound
5-{[(2,4-dichlorobenzyl)sulfanyl]methyl}-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK447022
SMILES Clc1ccc(c(c1)Cl)CSCc1nnc(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 C18H15Cl2N3O2S2 MW 440.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15Cl2N3O2S2/c19-12-2-1-11(14(20)7-12)9-27-10-17-21-22-18(26)23(17)13-3-4-15-16(8-13)25-6-5-24-15/h1-4,7-8H,5-6,9-10H2,(H,22,26)InChIKey
NKABBBGUTVGIDS-UHFFFAOYSA-NSynonyms
3((24dichlorophenyl)methylsulfanylmethyl)4(23dihydro14benzodioxin6yl)1H124triazole5thione
4(2H3HBENZO(34E)14DIOXAN6YL)5(((24DICHLOROPHENYL)METHYLTHIO)METHYL)124TRIAZOLE3THIOL
5(((24dichlorobenzyl)sulfanyl)methyl)4(23dihydro14benzodioxin6yl)4H124triazole3thiol
C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)CSCC4=C(C=C(C=C4)Cl)Cl
InChI=1SC18H15Cl2N3O2S2c19122111(14(20)712)9271017212218(26)23(17)13341516(813)25652415h1478H56910H2(H2226)
MFCD04059162
ZINC000019631359
ZINC19631359
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