Vitas-M small molecule compound

4-bromo-2-[(E)-(5-imino-7-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenyl 4-methylbenzenesulfonate

Catalog ID
STK385576
SMILES CCCc1nn2c(=NC(=O)/C(=C/c3cc(Br)ccc3OS(=O)(=O)c3ccc(cc3)C)/C2=N)s1

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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 C22H19BrN4O4S2 MW 547.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrN4O4S2/c1-3-4-19-26-27-20(24)17(21(28)25-22(27)32-19)12-14-11-15(23)7-10-18(14)31-33(29,30)16-8-5-13(2)6-9-16/h5-12,24H,3-4H2,1-2H3/b17-12+,24-20-
InChIKey
SVVKIPVRAYXTFC-HXFVGRMDSA-N
Synonyms

4bromo2((E)(5imino7oxo2propyl5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl4methylbenzenesulfonate
CCCc1nn2c(=NC(=O)C(=Cc3cc(Br)ccc3OS(=O)(=O)c3ccc(cc3)C)C2=N)s1
MFCD02118813
ZINC000059222160

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Available files

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