Vitas-M small molecule compound
4-{(6E)-5-iminio-7-oxo-6-[(4-oxo-4H-chromen-3-yl)methylidene]-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}phenolate
Catalog ID
STK572695
SMILES [O-]c1ccc(cc1)c1nn2c(=NC(=O)/C(=C/c3coc4c(c3=O)cccc4)/C2=[NH2+])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 C21H12N4O4S MW 416.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12N4O4S/c22-18-15(9-12-10-29-16-4-2-1-3-14(16)17(12)27)19(28)23-21-25(18)24-20(30-21)11-5-7-13(26)8-6-11/h1-10,22,26H/b15-9+,22-18?InChIKey
HWTQKLXRBKTRPV-TWGBNTOESA-NSynonyms
(O)c1ccc(cc1)c1nn2c(=NC(=O)C(=Cc3coc4c(c3=O)cccc4)C2=(NH2+))s1
4((6E)5iminio7oxo6((4oxo4Hchromen3yl)methylidene)67dihydro5H(134)thiadiazolo(32a)pyrimidin2yl)phenolate
MFCD06596925
ZINC000009266364
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