Vitas-M small molecule compound
2-ethoxy-4-[(Z)-(2-ethyl-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenyl 2-nitrobenzenesulfonate
Catalog ID
STK029957
SMILES CCOc1cc(ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-])/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC
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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 C22H19N5O7S2 MW 529.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O7S2/c1-3-19-25-26-20(23)14(21(28)24-22(26)35-19)11-13-9-10-16(17(12-13)33-4-2)34-36(31,32)18-8-6-5-7-15(18)27(29)30/h5-12,23H,3-4H2,1-2H3/b14-11-,23-20-InChIKey
LNNOOLWZGLVCLP-CUVTVMEMSA-NSynonyms
(Z)2ethoxy4((2ethyl5imino7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl2nitrobenzenesulfonate
2ethoxy4((Z)(2ethyl5imino7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl2nitrobenzenesulfonate
CCOc1cc(ccc1OS(=O)(=O)c1ccccc1(N+)(=O)(O))C=C1C(=O)N=c2n(C1=N)nc(s2)CC
MFCD02986323
STK029957
ZINC000100642293
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