Vitas-M small molecule compound

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

Catalog ID
STK079985
SMILES O=C(Nc1ccc(cc1Cl)Cl)Nc1nnc(s1)CSCc1ccc(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 C17H13Cl2FN4OS2 MW 443.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13Cl2FN4OS2/c18-11-3-6-14(13(19)7-11)21-16(25)22-17-24-23-15(27-17)9-26-8-10-1-4-12(20)5-2-10/h1-7H,8-9H2,(H2,21,22,24,25)
InChIKey
BTLGJAHCTONGOO-UHFFFAOYSA-N
Synonyms
426251-57-2
1(24DICHLOROPHENYL)3((2Z)5(((4FLUOROBENZYL)SULFANYL)METHYL)134THIADIAZOL2(3H)YLIDENE)UREA
1(24DICHLOROPHENYL)3(5(((4FLUOROBENZYL)SULFANYL)METHYL)134THIADIAZOL2YL)UREA
1(24dichlorophenyl)3(5(((4fluorobenzyl)thio)methyl)134thiadiazol2yl)urea
1(24DICHLOROPHENYL)3(5((4FLUOROPHENYL)METHYLSULFANYLMETHYL)134THIADIAZOL2YL)UREA
C1=CC(=CC=C1CSCC2=NN=C(S2)NC(=O)NC3=C(C=C(C=C3)Cl)Cl)F
InChI=1SC17H13Cl2FN4OS2c18113614(13(19)711)2116(25)2217242315(2717)9268101412(20)5210h17H89H2(H221222425)
MFCD02638506
O=C(Nc1ccc(cc1Cl)Cl)Nc1nnc(s1)CSCc1ccc(cc1)F
STK079985
ZINC000001254858
ZINC01254858
ZINC1254858

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Available files

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