Vitas-M small molecule compound
ethyl 3-{3-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Catalog ID
STL363676
SMILES CCOC(=O)c1cccc(c1)n1c(C)cc(c1C)C=C1C(=O)N(C)C(=O)N(C1=O)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 C22H23N3O5 MW 409.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O5/c1-6-30-21(28)15-8-7-9-17(11-15)25-13(2)10-16(14(25)3)12-18-19(26)23(4)22(29)24(5)20(18)27/h7-12H,6H2,1-5H3InChIKey
CVNBOTNDDFGLSB-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC(=CC=C1)N2C(=CC(=C2C)C=C3C(=O)N(C(=O)N(C3=O)C)C)C
ETHYL3(3((13DIMETHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOATE
ETHYL3(3((13DIMETHYL246TRIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOATE
ethyl3(3((13dimethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)benzoate
InChI=1SC22H23N3O5c163021(28)1587917(1115)2513(2)1016(14(25)3)121819(26)23(4)22(29)24(5)20(18)27h712H6H215H3
MFCD02628946
ZINC000000977436
ZINC00977436
ZINC977436
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