Vitas-M small molecule compound

N-({3-chloro-4-[4-(pentafluorophenyl)piperazin-1-yl]phenyl}carbamothioyl)-4-ethylbenzamide

Catalog ID
STK389585
SMILES CCc1ccc(cc1)C(=O)NC(=S)Nc1ccc(c(c1)Cl)N1CCN(CC1)c1c(F)c(F)c(c(c1F)F)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 C26H22ClF5N4OS MW 569.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClF5N4OS/c1-2-14-3-5-15(6-4-14)25(37)34-26(38)33-16-7-8-18(17(27)13-16)35-9-11-36(12-10-35)24-22(31)20(29)19(28)21(30)23(24)32/h3-8,13H,2,9-12H2,1H3,(H2,33,34,37,38)
InChIKey
VUKFRUMBHDAETO-UHFFFAOYSA-N
Synonyms

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C4=C(C(=C(C(=C4F)F)F)F)F)Cl
InChI=1SC26H22ClF5N4OSc12143515(6414)25(37)3426(38)33167818(17(27)1316)3591136(121035)2422(31)20(29)19(28)21(30)23(24)32h3813H2912H21H3(H233343738)
MFCD03836753
N((3chloro4(4(23456pentafluorophenyl)piperazin1yl)phenyl)carbamothioyl)4ethylbenzamide
N((3chloro4(4(pentafluorophenyl)piperazin1yl)phenyl)carbamothioyl)4ethylbenzamide
ZINC000004122686
ZINC4122686

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Available files

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