Vitas-M small molecule compound
ethyl 4-[({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)amino]benzoate
Catalog ID
STK456367
SMILES CCOC(=O)c1ccc(cc1)NC(=S)N1CCN(CC1)c1cccc(c1)C(F)(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 C21H22F3N3O2S MW 437.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22F3N3O2S/c1-2-29-19(28)15-6-8-17(9-7-15)25-20(30)27-12-10-26(11-13-27)18-5-3-4-16(14-18)21(22,23)24/h3-9,14H,2,10-13H2,1H3,(H,25,30)InChIKey
QLPKKVRAESFGBW-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F
ethyl4(((4(3(trifluoromethyl)phenyl)piperazin1yl)carbonothioyl)amino)benzoate
ETHYL4((4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZINE1CARBOTHIOYL)AMINO)BENZOATE
ETHYL4((THIOXO(4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZINYL)METHYL)AMINO)BENZOATE
InChI=1SC21H22F3N3O2Sc122919(28)156817(9715)2520(30)27121026(111327)1853416(1418)21(2223)24h3914H21013H21H3(H2530)
MFCD05058247
ZINC000002853389
ZINC02853389
ZINC2853389
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