Vitas-M small molecule compound
4-[(Z)-(2-ethyl-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-methoxyphenyl 4-methylbenzenesulfonate
Catalog ID
STK835948
SMILES COc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)/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/c1-4-19-25-26-20(23)16(21(27)24-22(26)32-19)11-14-7-10-17(18(12-14)30-3)31-33(28,29)15-8-5-13(2)6-9-15/h5-12,23H,4H2,1-3H3/b16-11-,23-20-InChIKey
BSGQHJDKMFLHBB-CDTXGEGNSA-NSynonyms
(Z)4((2ethyl5imino7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)2methoxyphenyl4methylbenzenesulfonate
4((Z)(2ethyl5imino7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)2methoxyphenyl4methylbenzenesulfonate
COc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)C=C1C(=O)N=c2n(C1=N)nc(s2)CC
MFCD02987495
ZINC000009309916
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