Vitas-M small molecule compound
4-{[4-(2-fluorophenyl)piperazin-4-ium-1-yl]carbonothioyl}-2-methoxyphenolate
Catalog ID
STK566864
SMILES COc1cc(ccc1[O-])C(=S)N1CC[NH+](CC1)c1ccccc1F
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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 C18H19FN2O2S MW 346.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19FN2O2S/c1-23-17-12-13(6-7-16(17)22)18(24)21-10-8-20(9-11-21)15-5-3-2-4-14(15)19/h2-7,12,22H,8-11H2,1H3InChIKey
FKQDJXNHUMUIQI-UHFFFAOYSA-NSynonyms
587012-65-54((4(2fluorophenyl)piperazin4ium1yl)carbonothioyl)2methoxyphenolate
4(4(2FLUOROPHENYL)PIPERAZIN4IUM1CARBOTHIOYL)2METHOXYPHENOLATE
587012655
COC1=C(C=CC(=C1)C(=S)N2CC(NH+)(CC2)C3=CC=CC=C3F)(O)
COc1cc(ccc1(O))C(=S)N1CC(NH+)(CC1)c1ccccc1F
InChI=1SC18H19FN2O2Sc123171213(6716(17)22)18(24)2110820(91121)15532414(15)19h271222H811H21H3
MFCD04033410
ZINC000000515510
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