Vitas-M small molecule compound

3-chloro-N-{[4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperazin-1-yl]carbonothioyl}-4-methylbenzamide

Catalog ID
STK254371
SMILES S=C(N1CCN(CC1)c1c(F)c(F)c(c(c1F)F)Cl)NC(=O)c1ccc(c(c1)Cl)C

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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 C19H15Cl2F4N3OS MW 480.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15Cl2F4N3OS/c1-9-2-3-10(8-11(9)20)18(29)26-19(30)28-6-4-27(5-7-28)17-15(24)13(22)12(21)14(23)16(17)25/h2-3,8H,4-7H2,1H3,(H,26,29,30)
InChIKey
CFBYVYXXGBRFFH-UHFFFAOYSA-N
Synonyms

3chloroN((4(4chloro2356tetrafluorophenyl)piperazin1yl)carbonothioyl)4methylbenzamide
3chloroN(4(4chloro2356tetrafluorophenyl)piperazine1carbothioyl)4methylbenzamide
CC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C(=C(C(=C3F)F)Cl)F)F)Cl
InChI=1SC19H15Cl2F4N3OSc192310(811(9)20)18(29)2619(30)286427(5728)1715(24)13(22)12(21)14(23)16(17)25h238H47H21H3(H262930)
MFCD06759173
ZINC000009669098
ZINC09669098
ZINC9669098

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Available files

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