Vitas-M small molecule compound

3-(propan-2-yl)-6-[4-(trifluoromethoxy)phenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Catalog ID
STK937594
SMILES CC(c1nnc2n1nc(s2)c1ccc(cc1)OC(F)(F)F)C

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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 C13H11F3N4OS MW 328.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11F3N4OS/c1-7(2)10-17-18-12-20(10)19-11(22-12)8-3-5-9(6-4-8)21-13(14,15)16/h3-7H,1-2H3
InChIKey
OWUZXSGEZWEVJM-UHFFFAOYSA-N
Synonyms
1232777-92-2
1232777922
3(propan2yl)6(4(trifluoromethoxy)phenyl)(124)triazolo(34b)(134)thiadiazole
3isopropyl6(4(trifluoromethoxy)phenyl)(124)triazolo(34b)(134)thiadiazole
3propan2yl6(4(trifluoromethoxy)phenyl)(124)triazolo(34b)(134)thiadiazole
CC(C)C1=NN=C2N1N=C(S2)C3=CC=C(C=C3)OC(F)(F)F
InChI=1SC13H11F3N4OSc17(2)1017181220(10)1911(2212)8359(648)2113(1415)16h37H12H3
MFCD18068781
ZINC000044902971
ZINC44902971

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Available files

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