Vitas-M small molecule compound

N-({3-chloro-4-[4-(pentafluorophenyl)piperazin-1-yl]phenyl}carbamothioyl)-3,5-diethoxybenzamide

Catalog ID
STK265205
SMILES CCOc1cc(OCC)cc(c1)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 C28H26ClF5N4O3S MW 629.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26ClF5N4O3S/c1-3-40-17-11-15(12-18(14-17)41-4-2)27(39)36-28(42)35-16-5-6-20(19(29)13-16)37-7-9-38(10-8-37)26-24(33)22(31)21(30)23(32)25(26)34/h5-6,11-14H,3-4,7-10H2,1-2H3,(H2,35,36,39,42)
InChIKey
BAYAWHJVGRVADB-UHFFFAOYSA-N
Synonyms

CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C4=C(C(=C(C(=C4F)F)F)F)F)Cl)OCC
InChI=1SC28H26ClF5N4O3Sc1340171115(1218(1417)4142)27(39)3628(42)35165620(19(29)1316)377938(10837)2624(33)22(31)21(30)23(32)25(26)34h561114H34710H212H3(H235363942)
MFCD03849089
N((3chloro4(4(23456pentafluorophenyl)piperazin1yl)phenyl)carbamothioyl)35diethoxybenzamide
N((3chloro4(4(pentafluorophenyl)piperazin1yl)phenyl)carbamothioyl)35diethoxybenzamide
ZINC000004122694
ZINC4122694

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Available files

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