Vitas-M small molecule compound

1-(5-{2-[(2-fluorobenzyl)sulfanyl]phenyl}-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea

Catalog ID
STK073546
SMILES COc1ccc(cc1)NC(=O)Nc1nnc(s1)c1ccccc1SCc1ccccc1F

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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 C23H19FN4O2S2 MW 466.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19FN4O2S2/c1-30-17-12-10-16(11-13-17)25-22(29)26-23-28-27-21(32-23)18-7-3-5-9-20(18)31-14-15-6-2-4-8-19(15)24/h2-13H,14H2,1H3,(H2,25,26,28,29)
InChIKey
KHCAWHKYQOZNSM-UHFFFAOYSA-N
Synonyms
426250-06-8
1(5(2((2FLUOROBENZYL)SULFANYL)PHENYL)134THIADIAZOL2YL)3(4METHOXYPHENYL)UREA
1(5(2((2fluorobenzyl)thio)phenyl)134thiadiazol2yl)3(4methoxyphenyl)urea
1(5(2((2FLUOROPHENYL)METHYLSULFANYL)PHENYL)134THIADIAZOL2YL)3(4METHOXYPHENYL)UREA
426250068
COC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)C3=CC=CC=C3SCC4=CC=CC=C4F
COc1ccc(cc1)NC(=O)Nc1nnc(s1)c1ccccc1SCc1ccccc1F
InChI=1SC23H19FN4O2S2c13017121016(111317)2522(29)2623282721(3223)18735920(18)311415624819(15)24h213H14H21H3(H225262829)
MFCD02638882
STK073546
ZINC000009076290
ZINC09076290
ZINC9076290

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Available files

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