Vitas-M small molecule compound
3-chloro-4-methoxy-N-({4-[4-(pentafluorophenyl)piperazin-1-yl]phenyl}carbamothioyl)benzamide
Catalog ID
STK389467
SMILES COc1ccc(cc1Cl)C(=O)NC(=S)Nc1ccc(cc1)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 C25H20ClF5N4O2S MW 570.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClF5N4O2S/c1-37-17-7-2-13(12-16(17)26)24(36)33-25(38)32-14-3-5-15(6-4-14)34-8-10-35(11-9-34)23-21(30)19(28)18(27)20(29)22(23)31/h2-7,12H,8-11H2,1H3,(H2,32,33,36,38)InChIKey
IOBUJJSDHHDACR-UHFFFAOYSA-NSynonyms
3chloro4methoxyN((4(4(23456pentafluorophenyl)piperazin1yl)phenyl)carbamothioyl)benzamide
3chloro4methoxyN((4(4(pentafluorophenyl)piperazin1yl)phenyl)carbamothioyl)benzamide
COC1=C(C=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=1SC25H20ClF5N4O2Sc137177213(1216(17)26)24(36)3325(38)32143515(6414)3481035(11934)2321(30)19(28)18(27)20(29)22(23)31h2712H811H21H3(H232333638)
MFCD03836283
ZINC000004122389
ZINC4122389
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