Vitas-M small molecule compound

ethyl 4-({(Z)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)benzoate

Catalog ID
STL372454
SMILES CCOC(=O)c1ccc(cc1)N/C=C\1/C(=O)NC(=O)N(C1=O)c1cccc(c1)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 C21H19N3O5 MW 393.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O5/c1-3-29-20(27)14-7-9-15(10-8-14)22-12-17-18(25)23-21(28)24(19(17)26)16-6-4-5-13(2)11-16/h4-12,22H,3H2,1-2H3,(H,23,25,28)/b17-12-
InChIKey
UYPOCOXBZCVZCH-ATVHPVEESA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)NC(=O)N(C2=O)C3=CC=CC(=C3)C
CCOC(=O)c1ccc(cc1)NC=C1C(=O)NC(=O)N(C1=O)c1cccc(c1)C
ETHYL4(((Z)(1(3METHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)AMINO)BENZOATE
ethyl4(((Z)(1(3methylphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)benzoate
InChI=1SC21H19N3O5c132920(27)147915(10814)22121718(25)2321(28)24(19(17)26)1664513(2)1116h41222H3H212H3(H232528)b1712
MFCD01052282
ZINC000005564702
ZINC05564702
ZINC5564702

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Available files

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