Vitas-M small molecule compound
(5Z)-6-hydroxy-3-(2-phenylethyl)-5-({[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
Catalog ID
STK600850
SMILES O=C1N=C(O)/C(=C/Nc2ccc(cc2)Cn2cncn2)/C(=O)N1CCc1ccccc1
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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 C22H20N6O3 MW 416.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N6O3/c29-20-19(12-24-18-8-6-17(7-9-18)13-27-15-23-14-25-27)21(30)28(22(31)26-20)11-10-16-4-2-1-3-5-16/h1-9,12,14-15,24H,10-11,13H2,(H,26,29,31)/b19-12-InChIKey
WYTWSHQNYLJYSZ-UNOMPAQXSA-NSynonyms
(5Z)1(2phenylethyl)5((4(124triazol1ylmethyl)anilino)methylidene)13diazinane246trione
(5Z)6hydroxy3(2phenylethyl)5(((4(1H124triazol1ylmethyl)phenyl)amino)methylidene)pyrimidine24(3H5H)dione
C1=CC=C(C=C1)CCN2C(=O)C(=CNC3=CC=C(C=C3)CN4C=NC=N4)C(=O)NC2=O
InChI=1SC22H20N6O3c292019(1224188617(7918)13271523142527)21(30)28(22(31)2620)1110164213516h1912141524H101113H2(H262931)b1912
MFCD08734653
O=C1N=C(O)C(=CNc2ccc(cc2)Cn2cncn2)C(=O)N1CCc1ccccc1
ZINC000009060888
ZINC09060888
ZINC9060888
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