Vitas-M small molecule compound

N-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2-fluorobenzamide

Catalog ID
STK712219
SMILES O=C(c1ccccc1F)Nc1nnc(s1)COc1ccc(cc1)C(C)(C)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 C20H20FN3O2S MW 385.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20FN3O2S/c1-20(2,3)13-8-10-14(11-9-13)26-12-17-23-24-19(27-17)22-18(25)15-6-4-5-7-16(15)21/h4-11H,12H2,1-3H3,(H,22,24,25)
InChIKey
ZGIXPVPIBSRMNK-UHFFFAOYSA-N
Synonyms

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(S2)NC(=O)C3=CC=CC=C3F
InChI=1SC20H20FN3O2Sc120(23)1381014(11913)261217232419(2717)2218(25)15645716(15)21h411H12H213H3(H222425)
MFCD01591652
N(5((4(tertbutyl)phenoxy)methyl)134thiadiazol2yl)2fluorobenzamide
N(5((4tertbutylphenoxy)methyl)134thiadiazol2yl)2fluorobenzamide
ZINC000002252278
ZINC02252278
ZINC2252278

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Available files

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