Vitas-M small molecule compound

N-({3-chloro-4-[4-(pentafluorophenyl)piperazin-1-yl]phenyl}carbamothioyl)-3-(2-methylpropoxy)benzamide

Catalog ID
STK265213
SMILES CC(COc1cccc(c1)C(=O)NC(=S)Nc1ccc(c(c1)Cl)N1CCN(CC1)c1c(F)c(F)c(c(c1F)F)F)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 C28H26ClF5N4O2S MW 613.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26ClF5N4O2S/c1-15(2)14-40-18-5-3-4-16(12-18)27(39)36-28(41)35-17-6-7-20(19(29)13-17)37-8-10-38(11-9-37)26-24(33)22(31)21(30)23(32)25(26)34/h3-7,12-13,15H,8-11,14H2,1-2H3,(H2,35,36,39,41)
InChIKey
NKJRGLKAQPKJDA-UHFFFAOYSA-N
Synonyms

CC(C)COC1=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
InChI=1SC28H26ClF5N4O2Sc115(2)14401853416(1218)27(39)3628(41)35176720(19(29)1317)3781038(11937)2624(33)22(31)21(30)23(32)25(26)34h37121315H81114H212H3(H235363941)
MFCD04966606
N((3chloro4(4(23456pentafluorophenyl)piperazin1yl)phenyl)carbamothioyl)3(2methylpropoxy)benzamide
N((3chloro4(4(pentafluorophenyl)piperazin1yl)phenyl)carbamothioyl)3(2methylpropoxy)benzamide
ZINC000004122691
ZINC4122691

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Available files

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