Vitas-M small molecule compound
(5E)-3-butyl-5-{1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STK567873
SMILES CCCCN1C(=O)N=C(/C(=C(\Nc2c(C)n(n(c2=O)c2ccccc2)C)/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 C21H25N5O4 MW 411.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O4/c1-5-6-12-25-19(28)16(18(27)23-21(25)30)13(2)22-17-14(3)24(4)26(20(17)29)15-10-8-7-9-11-15/h7-11,22H,5-6,12H2,1-4H3,(H,23,27,30)/b16-13+InChIKey
ZNJBULBCLWVDRA-DTQAZKPQSA-NSynonyms
(5E)1BUTYL5(1((15DIMETHYL3OXO2PHENYLPYRAZOL4YL)AMINO)ETHYLIDENE)13DIAZINANE246TRIONE
(5E)3butyl5(1((15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)amino)ethylidene)6hydroxypyrimidine24(3H5H)dione
CCCCN1C(=O)C(=C(C)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)NC1=O
CCCCN1C(=O)N=C(C(=C(Nc2c(C)n(n(c2=O)c2ccccc2)C)C)C1=O)O
InChI=1SC21H25N5O4c156122519(28)16(18(27)2321(25)30)13(2)221714(3)24(4)26(20(17)29)15108791115h71122H5612H214H3(H232730)b1613+
MFCD05726538
ZINC000037866277
ZINC37866277
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