Vitas-M small molecule compound
(5E)-5-{1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]ethylidene}-2-hydroxy-1-(prop-2-en-1-yl)pyrimidine-4,6(1H,5H)-dione
Catalog ID
STL042593
SMILES C=CCN1C(=NC(=O)/C(=C(\Nc2c(=O)n(n(c2C)C)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 C20H21N5O4 MW 395.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O4/c1-5-11-24-18(27)15(17(26)22-20(24)29)12(2)21-16-13(3)23(4)25(19(16)28)14-9-7-6-8-10-14/h5-10,21H,1,11H2,2-4H3,(H,22,26,29)/b15-12+InChIKey
SJQYOVZHGBTYMP-NTCAYCPXSA-NSynonyms
(5E)5(1((15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)amino)ethylidene)2hydroxy1(prop2en1yl)pyrimidine46(1H5H)dione
(5E)5(1((15DIMETHYL3OXO2PHENYLPYRAZOL4YL)AMINO)ETHYLIDENE)1PROP2ENYL13DIAZINANE246TRIONE
C=CCN1C(=NC(=O)C(=C(Nc2c(=O)n(n(c2C)C)c2ccccc2)C)C1=O)O
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=C3C(=O)NC(=O)N(C3=O)CC=C)C
InChI=1SC20H21N5O4c15112418(27)15(17(26)2220(24)29)12(2)211613(3)23(4)25(19(16)28)1497681014h51021H111H224H3(H222629)b1512+
MFCD05730500
ZINC000101083756
ZINC101083756
ZINC18144286
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