Vitas-M small molecule compound
4-{[4-(2-fluorophenyl)piperazin-4-ium-1-yl]carbonothioyl}phenolate
Catalog ID
STL055652
SMILES [O-]c1ccc(cc1)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 C17H17FN2OS MW 316.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17FN2OS/c18-15-3-1-2-4-16(15)19-9-11-20(12-10-19)17(22)13-5-7-14(21)8-6-13/h1-8,21H,9-12H2InChIKey
ZESBWULWAUQUFI-UHFFFAOYSA-NSynonyms
694507-03-4(O)c1ccc(cc1)C(=S)N1CC(NH+)(CC1)c1ccccc1F
4((4(2fluorophenyl)piperazin4ium1yl)carbonothioyl)phenolate
4(4(2FLUOROPHENYL)PIPERAZIN4IUM1CARBOTHIOYL)PHENOLATE
694507034
C1CN(CC(NH+)1C2=CC=CC=C2F)C(=S)C3=CC=C(C=C3)(O)
InChI=1SC17H17FN2OSc1815312416(15)1991120(121019)17(22)135714(21)8613h1821H912H2
MFCD04013255
ZINC000000526869
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