Vitas-M small molecule compound
4-{[4-(4-fluorophenyl)piperazin-4-ium-1-yl]carbonothioyl}phenolate
Catalog ID
STL053721
SMILES [O-]c1ccc(cc1)C(=S)N1CC[NH+](CC1)c1ccc(cc1)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 C17H17FN2OS MW 316.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17FN2OS/c18-14-3-5-15(6-4-14)19-9-11-20(12-10-19)17(22)13-1-7-16(21)8-2-13/h1-8,21H,9-12H2InChIKey
ICWKELSIJTZGSY-UHFFFAOYSA-NSynonyms
573931-01-8(O)c1ccc(cc1)C(=S)N1CC(NH+)(CC1)c1ccc(cc1)F
4((4(4fluorophenyl)piperazin4ium1yl)carbonothioyl)phenolate
4(4(4FLUOROPHENYL)PIPERAZIN4IUM1CARBOTHIOYL)PHENOLATE
573931018
C1CN(CC(NH+)1C2=CC=C(C=C2)F)C(=S)C3=CC=C(C=C3)(O)
InChI=1SC17H17FN2OSc18143515(6414)1991120(121019)17(22)131716(21)8213h1821H912H2
MFCD04019582
ZINC000000529878
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