Vitas-M small molecule compound

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

Catalog ID
STK013451
SMILES O=C(Nc1ccccc1F)Nc1nnc(s1)c1ccccc1SCc1ccc(cc1)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 C22H16F2N4OS2 MW 454.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16F2N4OS2/c23-15-11-9-14(10-12-15)13-30-19-8-4-1-5-16(19)20-27-28-22(31-20)26-21(29)25-18-7-3-2-6-17(18)24/h1-12H,13H2,(H2,25,26,28,29)
InChIKey
QTRVMDVXXRIXMC-UHFFFAOYSA-N
Synonyms
426236-29-5
1((2E)5(2((4FLUOROBENZYL)SULFANYL)PHENYL)134THIADIAZOL2(3H)YLIDENE)3(2FLUOROPHENYL)UREA
1(2FLUOROPHENYL)3(5(2((4FLUOROPHENYL)METHYLSULFANYL)PHENYL)134THIADIAZOL2YL)UREA
1(5(2((4FLUOROBENZYL)SULFANYL)PHENYL)134THIADIAZOL2YL)3(2FLUOROPHENYL)UREA
1(5(2((4fluorobenzyl)thio)phenyl)134thiadiazol2yl)3(2fluorophenyl)urea
C1=CC=C(C(=C1)C2=NN=C(S2)NC(=O)NC3=CC=CC=C3F)SCC4=CC=C(C=C4)F
InChI=1SC22H16F2N4OS2c231511914(101215)133019841516(19)20272822(3120)2621(29)2518732617(18)24h112H13H2(H225262829)
MFCD02638984
O=C(Nc1ccccc1F)Nc1nnc(s1)c1ccccc1SCc1ccc(cc1)F
STK013451
ZINC000008817904
ZINC08817904
ZINC8817904

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Available files

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