Vitas-M small molecule compound
2-bromo-6-ethoxy-4-[(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
STK059656
SMILES CCOc1cc(cc(c1OS(=O)(=O)c1ccc(cc1)C)Br)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)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 C23H21BrN4O5S2 MW 577.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21BrN4O5S2/c1-4-19-27-28-21(25)16(22(29)26-23(28)34-19)10-14-11-17(24)20(18(12-14)32-5-2)33-35(30,31)15-8-6-13(3)7-9-15/h6-12,25H,4-5H2,1-3H3/b16-10-,25-21-InChIKey
ACAHNNUSALZJLW-QPTLMDDDSA-NSynonyms
2bromo6ethoxy4((Z)(2ethyl5imino7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl4methylbenzenesulfonate
CCOc1cc(cc(c1OS(=O)(=O)c1ccc(cc1)C)Br)C=C1C(=O)N=c2n(C1=N)nc(s2)CC
MFCD03033639
STK059656
ZINC000097958783
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