Vitas-M small molecule compound

3-[chloro(difluoro)methyl]-6-(9-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Catalog ID
STL157442
SMILES COc1cc(cc2c1OCCCO2)c1sc2n(n1)c(nn2)C(Cl)(F)F

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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 C14H11ClF2N4O3S MW 388.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11ClF2N4O3S/c1-22-8-5-7(6-9-10(8)24-4-2-3-23-9)11-20-21-12(14(15,16)17)18-19-13(21)25-11/h5-6H,2-4H2,1H3
InChIKey
RGFSHGJGFDJDMV-UHFFFAOYSA-N
Synonyms
1282126-87-7
1282126877
3(chloro(difluoro)methyl)6(6methoxy34dihydro2H15benzodioxepin8yl)(124)triazolo(34b)(134)thiadiazole
3(chloro(difluoro)methyl)6(9methoxy34dihydro2H15benzodioxepin7yl)(124)triazolo(34b)(134)thiadiazole
3(chlorodifluoromethyl)6(9methoxy34dihydro2Hbenzo(b)(14)dioxepin7yl)(124)triazolo(34b)(134)thiadiazole
COC1=CC(=CC2=C1OCCCO2)C3=NN4C(=NN=C4S3)C(F)(F)Cl
InChI=1SC14H11ClF2N4O3Sc122857(6910(8)24423239)11202112(14(1516)17)181913(21)2511h56H24H21H3
MFCD18798174
ZINC000061719539
ZINC61719539

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Available files

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