Vitas-M small molecule compound
4-[(E)-{2-[4-(3-chloro-4-methylphenyl)piperazin-4-ium-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]-2-nitrophenolate
Catalog ID
STK566583
SMILES O=C1N=C(S/C/1=C/c1ccc(c(c1)[N+](=O)[O-])[O-])N1CC[NH+](CC1)c1ccc(c(c1)Cl)C
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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 C21H19ClN4O4S MW 458.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O4S/c1-13-2-4-15(12-16(13)22)24-6-8-25(9-7-24)21-23-20(28)19(31-21)11-14-3-5-18(27)17(10-14)26(29)30/h2-5,10-12,27H,6-9H2,1H3/b19-11+InChIKey
AUWSOYHMVGJKHY-YBFXNURJSA-NSynonyms
577985-40-1577985401
MFCD04022073
O=C1N=C(SC1=Cc1ccc(c(c1)(N+)(=O)(O))(O))N1CC(NH+)(CC1)c1ccc(c(c1)Cl)C
ZINC000036218346
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