Vitas-M small molecule compound

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

Catalog ID
STK068194
SMILES O=C(Nc1ccccc1F)Nc1nnc(s1)CSCc1ccc(cc1)Cl

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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 C17H14ClFN4OS2 MW 408.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClFN4OS2/c18-12-7-5-11(6-8-12)9-25-10-15-22-23-17(26-15)21-16(24)20-14-4-2-1-3-13(14)19/h1-8H,9-10H2,(H2,20,21,23,24)
InChIKey
YTWIJQAEJLNQAH-UHFFFAOYSA-N
Synonyms
428482-87-5
1((2E)5(((4CHLOROBENZYL)SULFANYL)METHYL)134THIADIAZOL2(3H)YLIDENE)3(2FLUOROPHENYL)UREA
1(5(((4CHLOROBENZYL)SULFANYL)METHYL)134THIADIAZOL2YL)3(2FLUOROPHENYL)UREA
1(5(((4chlorobenzyl)thio)methyl)134thiadiazol2yl)3(2fluorophenyl)urea
1(5((4CHLOROPHENYL)METHYLSULFANYLMETHYL)134THIADIAZOL2YL)3(2FLUOROPHENYL)UREA
C1=CC=C(C(=C1)NC(=O)NC2=NN=C(S2)CSCC3=CC=C(C=C3)Cl)F
InChI=1SC17H14ClFN4OS2c18127511(6812)9251015222317(2615)2116(24)2014421313(14)19h18H910H2(H220212324)
MFCD02639533
O=C(Nc1ccccc1F)Nc1nnc(s1)CSCc1ccc(cc1)Cl
STK068194
ZINC000002206098
ZINC02206098
ZINC2206098

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Available files

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