Vitas-M small molecule compound
3,4-dimethyl-N-{[4-(pentafluorophenyl)piperazin-1-yl]carbonothioyl}benzamide
Catalog ID
STK390884
SMILES S=C(N1CCN(CC1)c1c(F)c(F)c(c(c1F)F)F)NC(=O)c1ccc(c(c1)C)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 C20H18F5N3OS MW 443.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18F5N3OS/c1-10-3-4-12(9-11(10)2)19(29)26-20(30)28-7-5-27(6-8-28)18-16(24)14(22)13(21)15(23)17(18)25/h3-4,9H,5-8H2,1-2H3,(H,26,29,30)InChIKey
ZKTDIFYSXWEMHA-UHFFFAOYSA-NSynonyms
34dimethylN((4(pentafluorophenyl)piperazin1yl)carbonothioyl)benzamide
34dimethylN(4(23456pentafluorophenyl)piperazine1carbothioyl)benzamide
CC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C(=C(C(=C3F)F)F)F)F)C
InChI=1SC20H18F5N3OSc1103412(911(10)2)19(29)2620(30)287527(6828)1816(24)14(22)13(21)15(23)17(18)25h349H58H212H3(H262930)
MFCD03836830
ZINC000004122768
ZINC04122768
ZINC4122768
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Check stock on Vitas-MAvailable files
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