Vitas-M small molecule compound
4-{(E)-[2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-2-methoxyphenyl methanesulfonate
Catalog ID
STL225085
SMILES COc1cc(ccc1OS(=O)(=O)C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CCC1CCCCC1
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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 C22H26N4O5S2 MW 490.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O5S2/c1-30-18-13-15(8-10-17(18)31-33(2,28)29)12-16-20(23)26-22(24-21(16)27)32-19(25-26)11-9-14-6-4-3-5-7-14/h8,10,12-14,23H,3-7,9,11H2,1-2H3/b16-12+,23-20-InChIKey
XXGCRKNTAJHSOX-UKQVBDDDSA-NSynonyms
848989-51-5(E)4((2(2cyclohexylethyl)5imino7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)2methoxyphenylmethanesulfonate
4((E)(2(2cyclohexylethyl)5imino7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)2methoxyphenylmethanesulfonate
848989515
COc1cc(ccc1OS(=O)(=O)C)C=C1C(=O)N=c2n(C1=N)nc(s2)CCC1CCCCC1
MFCD05678847
ZINC000009233709
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