Vitas-M small molecule compound
3-[(Z)-(2-ethyl-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenyl 4-methylbenzenesulfonate
Catalog ID
STK090652
SMILES CCc1nn2c(=NC(=O)/C(=C\c3cccc(c3)OS(=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 C21H18N4O4S2 MW 454.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S2/c1-3-18-24-25-19(22)17(20(26)23-21(25)30-18)12-14-5-4-6-15(11-14)29-31(27,28)16-9-7-13(2)8-10-16/h4-12,22H,3H2,1-2H3/b17-12-,22-19-InChIKey
AWHJXMWWXHQJBL-WOQKIPMBSA-NSynonyms
(E)3((2ethyl5imino7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl4methylbenzenesulfonate
3((Z)(2ethyl5imino7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl4methylbenzenesulfonate
CCc1nn2c(=NC(=O)C(=Cc3cccc(c3)OS(=O)(=O)c3ccc(cc3)C)C2=N)s1
MFCD02636376
STK090652
ZINC000008492200
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