Vitas-M small molecule compound

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(1H-indol-3-ylmethyl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK335806
SMILES Sc1nnc(n1c1ccc2c(c1)OCCO2)Cc1c[nH]c2c1cccc2

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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 C19H16N4O2S MW 364.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N4O2S/c26-19-22-21-18(9-12-11-20-15-4-2-1-3-14(12)15)23(19)13-5-6-16-17(10-13)25-8-7-24-16/h1-6,10-11,20H,7-9H2,(H,22,26)
InChIKey
RAKHTPBSMWEHEI-UHFFFAOYSA-N
Synonyms
728013-63-6
4(23DIHYDRO14BENZODIOXIN6YL)3(1HINDOL3YLMETHYL)1H124TRIAZOLE5THIONE
4(23DIHYDRO14BENZODIOXIN6YL)5(1HINDOL3YLMETHYL)24DIHYDRO3H124TRIAZOLE3THIONE
4(23DIHYDRO14BENZODIOXIN6YL)5(1HINDOL3YLMETHYL)4H124TRIAZOLE3THIOL
5((1Hindol3yl)methyl)4(23dihydrobenzo(b)(14)dioxin6yl)4H124triazole3thiol
728013636
C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)CC4=CNC5=CC=CC=C54
InChI=1SC19H16N4O2Sc2619222118(912112015421314(12)15)23(19)13561617(1013)25872416h16101120H79H2(H2226)
MFCD06015862
Sc1nnc(n1c1ccc2c(c1)OCCO2)Cc1c(nH)c2c1cccc2
ZINC02194830
ZINC05804686
ZINC5804686

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.