Vitas-M small molecule compound
4-{5-[(E)-{5-imino-2-[(3-methylphenoxy)methyl]-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene}methyl]furan-2-yl}benzoic acid
Catalog ID
STK117551
SMILES Cc1cccc(c1)OCc1nn2c(=NC(=O)/C(=C/c3ccc(o3)c3ccc(cc3)C(=O)O)/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 C25H18N4O5S MW 486.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N4O5S/c1-14-3-2-4-17(11-14)33-13-21-28-29-22(26)19(23(30)27-25(29)35-21)12-18-9-10-20(34-18)15-5-7-16(8-6-15)24(31)32/h2-12,26H,13H2,1H3,(H,31,32)/b19-12+,26-22-InChIKey
SNNNOSJMEFMQQP-WPNLKJQRSA-NSynonyms
4(5((E)(5imino2((3methylphenoxy)methyl)7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)furan2yl)benzoicacid
Cc1cccc(c1)OCc1nn2c(=NC(=O)C(=Cc3ccc(o3)c3ccc(cc3)C(=O)O)C2=N)s1
MFCD05978064
ZINC000009805471
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