Vitas-M small molecule compound
3-{5-[(Z)-{5-imino-2-[(2-methylphenoxy)methyl]-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene}methyl]furan-2-yl}benzoic acid
Catalog ID
STK188386
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(o1)c1cccc(c1)C(=O)O)COc1ccccc1C
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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/c1-14-5-2-3-8-19(14)33-13-21-28-29-22(26)18(23(30)27-25(29)35-21)12-17-9-10-20(34-17)15-6-4-7-16(11-15)24(31)32/h2-12,26H,13H2,1H3,(H,31,32)/b18-12-,26-22-InChIKey
HXQWAWQUEMCRTO-QDTKFKJJSA-NSynonyms
3(5((Z)(5imino2((2methylphenoxy)methyl)7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)furan2yl)benzoicacid
MFCD08672935
O=C1N=c2sc(nn2C(=N)C1=Cc1ccc(o1)c1cccc(c1)C(=O)O)COc1ccccc1C
ZINC000030802262
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