Vitas-M small molecule compound
methyl 3-{[(1E)-1-(1-benzyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propyl]amino}benzoate
Catalog ID
STL048637
SMILES CC/C(=C\1/C(=NC(=O)N(C1=O)Cc1ccccc1)O)/Nc1cccc(c1)C(=O)OC
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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 C22H21N3O5 MW 407.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O5/c1-3-17(23-16-11-7-10-15(12-16)21(28)30-2)18-19(26)24-22(29)25(20(18)27)13-14-8-5-4-6-9-14/h4-12,23H,3,13H2,1-2H3,(H,24,26,29)/b18-17+InChIKey
XLHDFBGCRFCGKL-ISLYRVAYSA-NSynonyms
CCC(=C1C(=NC(=O)N(C1=O)Cc1ccccc1)O)Nc1cccc(c1)C(=O)OC
CCC(=C1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)NC3=CC=CC(=C3)C(=O)OC
InChI=1SC22H21N3O5c1317(23161171015(1216)21(28)302)1819(26)2422(29)25(20(18)27)13148546914h41223H313H212H3(H242629)b1817+
METHYL3(((1E)1(1BENZYL246TRIOXO13DIAZINAN5YLIDENE)PROPYL)AMINO)BENZOATE
methyl3(((1E)1(1benzyl4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)propyl)amino)benzoate
MFCD05736011
ZINC000018142276
ZINC18142276
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