Vitas-M small molecule compound
(5Z)-3-butyl-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STK560346
SMILES CCCCN1C(=O)N=C(/C(=C/Nc2c(C)n(n(c2=O)c2ccccc2)C)/C1=O)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 C20H23N5O4 MW 397.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N5O4/c1-4-5-11-24-18(27)15(17(26)22-20(24)29)12-21-16-13(2)23(3)25(19(16)28)14-9-7-6-8-10-14/h6-10,12,21H,4-5,11H2,1-3H3,(H,22,26,29)/b15-12-InChIKey
BSNVSNAXFKVAOY-QINSGFPZSA-NSynonyms
(5Z)1BUTYL5(((15DIMETHYL3OXO2PHENYLPYRAZOL4YL)AMINO)METHYLIDENE)13DIAZINANE246TRIONE
(5Z)3butyl5(((15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)amino)methylidene)6hydroxypyrimidine24(3H5H)dione
CCCCN1C(=O)C(=CNC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)NC1=O
CCCCN1C(=O)N=C(C(=CNc2c(C)n(n(c2=O)c2ccccc2)C)C1=O)O
InChI=1SC20H23N5O4c145112418(27)15(17(26)2220(24)29)12211613(2)23(3)25(19(16)28)1497681014h6101221H4511H213H3(H222629)b1512
MFCD03803260
ZINC000102495279
ZINC102495279
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