Vitas-M small molecule compound
2-nitro-4-{(E)-[4-oxo-2-(4-phenylpiperazin-4-ium-1-yl)-1,3-thiazol-5(4H)-ylidene]methyl}phenolate
Catalog ID
STL149780
SMILES O=C1N=C(S/C/1=C/c1ccc(c(c1)[N+](=O)[O-])[O-])N1CC[NH+](CC1)c1ccccc1
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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 C20H18N4O4S MW 410.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O4S/c25-17-7-6-14(12-16(17)24(27)28)13-18-19(26)21-20(29-18)23-10-8-22(9-11-23)15-4-2-1-3-5-15/h1-7,12-13,25H,8-11H2/b18-13+InChIKey
NLUOXRLVMCDWSA-QGOAFFKASA-NSynonyms
444051-21-2444051212
MFCD04007661
O=C1N=C(SC1=Cc1ccc(c(c1)(N+)(=O)(O))(O))N1CC(NH+)(CC1)c1ccccc1
ZINC000013751600
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