Vitas-M small molecule compound
2-nitro-4-[(E)-{2-[4-(2-nitrophenyl)piperazin-4-ium-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]phenolate
Catalog ID
STL147495
SMILES O=C1N=C(S/C/1=C/c1ccc(c(c1)[N+](=O)[O-])[O-])N1CC[NH+](CC1)c1ccccc1[N+](=O)[O-]
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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 C20H17N5O6S MW 455.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5O6S/c26-17-6-5-13(11-16(17)25(30)31)12-18-19(27)21-20(32-18)23-9-7-22(8-10-23)14-3-1-2-4-15(14)24(28)29/h1-6,11-12,26H,7-10H2/b18-12+InChIKey
LETJXKGJEHKCNH-LDADJPATSA-NSynonyms
612052-75-2612052752
MFCD03979361
O=C1N=C(SC1=Cc1ccc(c(c1)(N+)(=O)(O))(O))N1CC(NH+)(CC1)c1ccccc1(N+)(=O)(O)
ZINC000036213205
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