Vitas-M small molecule compound
4-{(E)-[5-imino-7-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenyl 4-methylbenzenesulfonate
Catalog ID
STL225094
SMILES CCC(c1nn2c(=NC(=O)/C(=C/c3ccc(cc3)OS(=O)(=O)c3ccc(cc3)C)/C2=N)s1)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 C24H24N4O4S2 MW 496.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O4S2/c1-4-17(5-2)23-27-28-21(25)20(22(29)26-24(28)33-23)14-16-8-10-18(11-9-16)32-34(30,31)19-12-6-15(3)7-13-19/h6-14,17,25H,4-5H2,1-3H3/b20-14+,25-21-InChIKey
ZZPSESLTDFMKQU-ZCUSTOMNSA-NSynonyms
(Z)4((5imino7oxo2(pentan3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl4methylbenzenesulfonate
4((E)(5imino7oxo2(pentan3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl4methylbenzenesulfonate
CCC(c1nn2c(=NC(=O)C(=Cc3ccc(cc3)OS(=O)(=O)c3ccc(cc3)C)C2=N)s1)CC
MFCD24858028
ZINC000033915181
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