Vitas-M small molecule compound
2-[(3-{(E)-[1-(furan-2-ylmethyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile
Catalog ID
STK582616
SMILES N#Cc1ccccc1Cn1cc(c2c1cccc2)/C=C/1\C(=NC(=O)N(C1=O)Cc1ccco1)O
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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 C26H18N4O4 MW 450.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18N4O4/c27-13-17-6-1-2-7-18(17)14-29-15-19(21-9-3-4-10-23(21)29)12-22-24(31)28-26(33)30(25(22)32)16-20-8-5-11-34-20/h1-12,15H,14,16H2,(H,28,31,33)/b22-12+InChIKey
HSXFKTCEMVKUPP-WSDLNYQXSA-NSynonyms
345336-53-02((3((E)(1(FURAN2YLMETHYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)INDOL1YL)METHYL)BENZONITRILE
2((3((E)(1(furan2ylmethyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)1Hindol1yl)methyl)benzonitrile
345336530
InChI=1SC26H18N4O4c271317612718(17)14291519(219341023(21)29)122224(31)2826(33)30(25(22)32)162085113420h11215H1416H2(H283133)b2212+
MFCD07208770
N#Cc1ccccc1Cn1cc(c2c1cccc2)C=C1C(=NC(=O)N(C1=O)Cc1ccco1)O
ZINC000009013431
ZINC9013431
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