Vitas-M small molecule compound
ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-{[4-(ethoxycarbonyl)phenyl]amino}pyrimidine-5-carboxylate
Catalog ID
STL237068
SMILES CCOC(=O)c1cnc(nc1Nc1ccc(cc1)C(=O)OCC)n1nc(cc1C)C
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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 C21H23N5O4 MW 409.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O4/c1-5-29-19(27)15-7-9-16(10-8-15)23-18-17(20(28)30-6-2)12-22-21(24-18)26-14(4)11-13(3)25-26/h7-12H,5-6H2,1-4H3,(H,22,23,24)InChIKey
UBZKPOPJPNWXQL-UHFFFAOYSA-NSynonyms
879451-44-2879451442
CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC=C2C(=O)OCC)N3C(=CC(=N3)C)C
ethyl2(35dimethyl1Hpyrazol1yl)4((4(ethoxycarbonyl)phenyl)amino)pyrimidine5carboxylate
ETHYL2(35DIMETHYLPYRAZOL1YL)4(4ETHOXYCARBONYLANILINO)PYRIMIDINE5CARBOXYLATE
InChI=1SC21H23N5O4c152919(27)157916(10815)231817(20(28)3062)122221(2418)2614(4)1113(3)2526h712H56H214H3(H222324)
MFCD04030560
ZINC000005111330
ZINC05111330
ZINC5111330
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