Vitas-M small molecule compound

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

Catalog ID
STK042586
SMILES O=C(Nc1ccc(cc1)F)Nc1nnc(s1)CSc1ccc(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 C16H12ClFN4OS2 MW 394.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClFN4OS2/c17-10-1-7-13(8-2-10)24-9-14-21-22-16(25-14)20-15(23)19-12-5-3-11(18)4-6-12/h1-8H,9H2,(H2,19,20,22,23)
InChIKey
JOAFDNCQXKOPEE-UHFFFAOYSA-N
Synonyms
428481-51-0
1((2Z)5(((4CHLOROPHENYL)SULFANYL)METHYL)134THIADIAZOL2(3H)YLIDENE)3(4FLUOROPHENYL)UREA
1(5(((4CHLOROPHENYL)SULFANYL)METHYL)134THIADIAZOL2YL)3(4FLUOROPHENYL)UREA
1(5(((4chlorophenyl)thio)methyl)134thiadiazol2yl)3(4fluorophenyl)urea
1(5((4CHLOROPHENYL)SULFANYLMETHYL)134THIADIAZOL2YL)3(4FLUOROPHENYL)UREA
C1=CC(=CC=C1NC(=O)NC2=NN=C(S2)CSC3=CC=C(C=C3)Cl)F
InChI=1SC16H12ClFN4OS2c17101713(8210)24914212216(2514)2015(23)19125311(18)4612h18H9H2(H219202223)
MFCD02639502
O=C(Nc1ccc(cc1)F)Nc1nnc(s1)CSc1ccc(cc1)Cl
STK042586
ZINC000002331589
ZINC02331589
ZINC2331589

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Available files

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