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 benzenesulfonate
Catalog ID
STK001896
SMILES CCOc1cc(ccc1OS(=O)(=O)c1ccccc1)/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 C22H20N4O5S2 MW 484.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O5S2/c1-3-19-25-26-20(23)16(21(27)24-22(26)32-19)12-14-10-11-17(18(13-14)30-4-2)31-33(28,29)15-8-6-5-7-9-15/h5-13,23H,3-4H2,1-2H3/b16-12-,23-20-InChIKey
PHOCGORFPWVEBF-MVZWBTKSSA-NSynonyms
(Z)2ethoxy4((2ethyl5imino7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenylbenzenesulfonate
2ethoxy4((Z)(2ethyl5imino7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenylbenzenesulfonate
CCOc1cc(ccc1OS(=O)(=O)c1ccccc1)C=C1C(=O)N=c2n(C1=N)nc(s2)CC
MFCD02992792
STK001896
ZINC000008916077
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