Vitas-M small molecule compound
4-[(6Z)-6-{[2,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)-1H-pyrrol-3-yl]methylidene}-5-iminio-7-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]phenolate
Catalog ID
STK571803
SMILES [O-]c1ccc(cc1)c1nn2c(=NC(=O)/C(=C\c3cc(n(c3C)CC3CCCO3)C)/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 C23H23N5O3S MW 449.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O3S/c1-13-10-16(14(2)27(13)12-18-4-3-9-31-18)11-19-20(24)28-23(25-21(19)30)32-22(26-28)15-5-7-17(29)8-6-15/h5-8,10-11,18,24,29H,3-4,9,12H2,1-2H3/b19-11-,24-20?InChIKey
AVMWBRZDMDNCDT-QZEQKTIESA-NSynonyms
(O)c1ccc(cc1)c1nn2c(=NC(=O)C(=Cc3cc(n(c3C)CC3CCCO3)C)C2=(NH2+))s1
4((6Z)6((25dimethyl1(tetrahydrofuran2ylmethyl)1Hpyrrol3yl)methylidene)5iminio7oxo67dihydro5H(134)thiadiazolo(32a)pyrimidin2yl)phenolate
MFCD06599173
ZINC000003859192
ZINC000009267054
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