Vitas-M small molecule compound

methyl 3-{3-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-2-methylbenzoate

Catalog ID
STK175024
SMILES COC(=O)c1cccc(c1C)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/c1-12-10-15(11-17-19(26)23(4)22(29)24(5)20(17)27)14(3)25(12)18-9-7-8-16(13(18)2)21(28)30-6/h7-11H,1-6H3
InChIKey
JMJLSOLRIPEODW-UHFFFAOYSA-N
Synonyms
428823-72-7
428823727
CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)OC)C)C=C3C(=O)N(C(=O)N(C3=O)C)C
InChI=1SC22H23N3O5c1121015(111719(26)23(4)22(29)24(5)20(17)27)14(3)25(12)1897816(13(18)2)21(28)306h711H16H3
METHYL3(3((13DIMETHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)2METHYLBENZOATE
METHYL3(3((13DIMETHYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)2METHYLBENZOATE
MFCD02604633
ZINC000001175466
ZINC01175466
ZINC1175466

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Available files

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