Vitas-M small molecule compound
butyl 2-chloro-5-{[(Z)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate
Catalog ID
STL170720
SMILES CCCCOC(=O)c1cc(N/C=C\2/C(=O)NC(=O)N(C2=O)c2ccccc2)ccc1Cl
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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 C22H20ClN3O5 MW 441.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN3O5/c1-2-3-11-31-21(29)16-12-14(9-10-18(16)23)24-13-17-19(27)25-22(30)26(20(17)28)15-7-5-4-6-8-15/h4-10,12-13,24H,2-3,11H2,1H3,(H,25,27,30)/b17-13-InChIKey
MIHFFMAPMYVVOQ-LGMDPLHJSA-NSynonyms
362499-65-8362499658
butyl2chloro5(((Z)(246trioxo1phenyl13diazinan5ylidene)methyl)amino)benzoate
butyl2chloro5(((Z)(246trioxo1phenyltetrahydropyrimidin5(2H)ylidene)methyl)amino)benzoate
CCCCOC(=O)C1=C(C=CC(=C1)NC=C2C(=O)NC(=O)N(C2=O)C3=CC=CC=C3)Cl
CCCCOC(=O)c1cc(NC=C2C(=O)NC(=O)N(C2=O)c2ccccc2)ccc1Cl
InChI=1SC22H20ClN3O5c123113121(29)161214(91018(16)23)24131719(27)2522(30)26(20(17)28)157546815h410121324H2311H21H3(H252730)b1713
MFCD01178394
ZINC000002738981
ZINC02738981
ZINC2738981
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