Vitas-M small molecule compound
2-methoxy-4-({4-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-yl}carbonothioyl)phenolate
Catalog ID
STK568079
SMILES COc1cc(ccc1[O-])C(=S)N1CC[NH+](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 C19H19F3N2O2S MW 396.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19F3N2O2S/c1-26-17-11-13(5-6-16(17)25)18(27)24-9-7-23(8-10-24)15-4-2-3-14(12-15)19(20,21)22/h2-6,11-12,25H,7-10H2,1H3InChIKey
FFPRDXQZSBTDHA-UHFFFAOYSA-NSynonyms
840480-34-42methoxy4((4(3(trifluoromethyl)phenyl)piperazin4ium1yl)carbonothioyl)phenolate
2METHOXY4(4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZIN4IUM1CARBOTHIOYL)PHENOLATE
840480344
COC1=C(C=CC(=C1)C(=S)N2CC(NH+)(CC2)C3=CC=CC(=C3)C(F)(F)F)(O)
COc1cc(ccc1(O))C(=S)N1CC(NH+)(CC1)c1cccc(c1)C(F)(F)F
InChI=1SC19H19F3N2O2Sc126171113(5616(17)25)18(27)249723(81024)1542314(1215)19(2021)22h26111225H710H21H3
MFCD04006826
ZINC000005099319
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