Vitas-M small molecule compound

3-(1,3-benzodioxol-5-yl)-6-(3-bromo-4-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Catalog ID
STK788138
SMILES Fc1ccc(cc1Br)c1nn2c(s1)nnc2c1ccc2c(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 C16H8BrFN4O2S MW 419.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H8BrFN4O2S/c17-10-5-9(1-3-11(10)18)15-21-22-14(19-20-16(22)25-15)8-2-4-12-13(6-8)24-7-23-12/h1-6H,7H2
InChIKey
FVHWPZYCWUDLEH-UHFFFAOYSA-N
Synonyms
1010889-46-9
1010889469
3(13benzodioxol5yl)6(3bromo4fluorophenyl)(124)triazolo(34b)(134)thiadiazole
3(benzo(d)(13)dioxol5yl)6(3bromo4fluorophenyl)(124)triazolo(34b)(134)thiadiazole
C1OC2=C(O1)C=C(C=C2)C3=NN=C4N3N=C(S4)C5=CC(=C(C=C5)F)Br
InChI=1SC16H8BrFN4O2Sc171059(1311(10)18)15212214(192016(22)2515)8241213(68)2472312h16H7H2
MFCD12035093
ZINC000012409211
ZINC12409211

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Available files

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