Vitas-M small molecule compound

3-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazole

Catalog ID
STK125496
SMILES Fc1cccc(c1)c1nnc(n1c1ccccc1)SCc1ccc2c(c1)OCO2

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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 C22H16FN3O2S MW 405.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16FN3O2S/c23-17-6-4-5-16(12-17)21-24-25-22(26(21)18-7-2-1-3-8-18)29-13-15-9-10-19-20(11-15)28-14-27-19/h1-12H,13-14H2
InChIKey
MVZBOPUDQUWPGH-UHFFFAOYSA-N
Synonyms
423730-41-0
3((13BENZODIOXOL5YLMETHYL)SULFANYL)5(3FLUOROPHENYL)4PHENYL4H124TRIAZOLE
3((benzo(d)(13)dioxol5ylmethyl)thio)5(3fluorophenyl)4phenyl4H124triazole
3(13BENZODIOXOL5YLMETHYLSULFANYL)5(3FLUOROPHENYL)4PHENYL124TRIAZOLE
423730410
C1OC2=C(O1)C=C(C=C2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC(=CC=C5)F
InChI=1SC22H16FN3O2Sc231764516(1217)21242522(26(21)187213818)2913159101920(1115)28142719h112H1314H2
MFCD00342943
ZINC000001021003
ZINC01021003
ZINC1021003

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Available files

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