Vitas-M small molecule compound

5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol

Catalog ID
STK130021
SMILES Sc1nnc(n1c1ccccc1)C1COc2c(O1)cccc2

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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 C16H13N3O2S MW 311.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O2S/c22-16-18-17-15(19(16)11-6-2-1-3-7-11)14-10-20-12-8-4-5-9-13(12)21-14/h1-9,14H,10H2,(H,18,22)
InChIKey
OEPIZVRBKFHAIP-UHFFFAOYSA-N
Synonyms
379725-33-4
3(23DIHYDRO14BENZODIOXIN3YL)4PHENYL1H124TRIAZOLE5THIONE
379725334
5(23DIHYDRO14BENZODIOXIN2YL)4PHENYL4H124TRIAZOL3YLHYDROSULFIDE
5(23DIHYDRO14BENZODIOXIN2YL)4PHENYL4H124TRIAZOLE3THIOL
5(23DIHYDROBENZO(14)DIOXIN2YL)4PHENYL4H(124)TRIAZOLE3THIOL
5(2H3HBENZO(E)14DIOXIN2YL)4PHENYL124TRIAZOLE3THIOL
C1C(OC2=CC=CC=C2O1)C3=NNC(=S)N3C4=CC=CC=C4
InChI=1SC16H13N3O2Sc2216181715(19(16)116213711)14102012845913(12)2114h1914H10H2(H1822)
MFCD03152336
ZINC000006534216
ZINC000006534217

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Available files

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