Vitas-M small molecule compound

5-{[(2-chlorobenzyl)sulfanyl]methyl}-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK447167
SMILES Clc1ccccc1CSCc1nnc(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 C18H16ClN3O2S2 MW 405.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN3O2S2/c19-14-4-2-1-3-12(14)10-26-11-17-20-21-18(25)22(17)13-5-6-15-16(9-13)24-8-7-23-15/h1-6,9H,7-8,10-11H2,(H,21,25)
InChIKey
MTIOELXFCVLNJV-UHFFFAOYSA-N
Synonyms

3((2chlorophenyl)methylsulfanylmethyl)4(23dihydro14benzodioxin6yl)1H124triazole5thione
4(2H3HBENZO(34E)14DIOXAN6YL)5(((2CHLOROPHENYL)METHYLTHIO)METHYL)124TRIAZOLE3THIOL
5(((2chlorobenzyl)sulfanyl)methyl)4(23dihydro14benzodioxin6yl)4H124triazole3thiol
C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)CSCC4=CC=CC=C4Cl
InChI=1SC18H16ClN3O2S2c1914421312(14)10261117202118(25)22(17)13561516(913)24872315h169H781011H2(H2125)
MFCD04059837
ZINC000006402697
ZINC06402697
ZINC6402697

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Available files

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