Vitas-M small molecule compound
3-{(Z)-[5-imino-2-(2-methylpropyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenyl 4-methylbenzenesulfonate
Catalog ID
STK086607
SMILES CC(Cc1nn2c(=NC(=O)/C(=C\c3cccc(c3)OS(=O)(=O)c3ccc(cc3)C)/C2=N)s1)C
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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 C23H22N4O4S2 MW 482.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O4S2/c1-14(2)11-20-26-27-21(24)19(22(28)25-23(27)32-20)13-16-5-4-6-17(12-16)31-33(29,30)18-9-7-15(3)8-10-18/h4-10,12-14,24H,11H2,1-3H3/b19-13-,24-21-InChIKey
NJWQSDAECXTHTE-NJOUBZMOSA-NSynonyms
3((Z)(5imino2(2methylpropyl)7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl4methylbenzenesulfonate
CC(Cc1nn2c(=NC(=O)C(=Cc3cccc(c3)OS(=O)(=O)c3ccc(cc3)C)C2=N)s1)C
MFCD02951065
STK086607
ZINC000008494913
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