Vitas-M small molecule compound
methyl 4-({(Z)-[5-cyano-1-(3-methoxypropyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}amino)benzoate
Catalog ID
STK719205
SMILES COCCCN1C(=O)/C(=C\Nc2ccc(cc2)C(=O)OC)/C(=C(C1=O)C#N)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 C20H21N3O5 MW 383.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O5/c1-13-16(11-21)18(24)23(9-4-10-27-2)19(25)17(13)12-22-15-7-5-14(6-8-15)20(26)28-3/h5-8,12,22H,4,9-10H2,1-3H3/b17-12-InChIKey
LGDYJRLEAORABL-ATVHPVEESA-NSynonyms
(Z)methyl4(((5cyano1(3methoxypropyl)4methyl26dioxo16dihydropyridin3(2H)ylidene)methyl)amino)benzoate
CC1=C(C(=O)N(C(=O)C1=CNC2=CC=C(C=C2)C(=O)OC)CCCOC)C#N
COCCCN1C(=O)C(=CNc2ccc(cc2)C(=O)OC)C(=C(C1=O)C#N)C
InChI=1SC20H21N3O5c11316(1121)18(24)23(9410272)19(25)17(13)1222157514(6815)20(26)283h581222H4910H213H3b1712
methyl4(((Z)(5cyano1(3methoxypropyl)4methyl26dioxo16dihydropyridin3(2H)ylidene)methyl)amino)benzoate
methyl4(((Z)(5cyano1(3methoxypropyl)4methyl26dioxopyridin3ylidene)methyl)amino)benzoate
MFCD08745195
ZINC000009061128
ZINC09061128
ZINC9061128
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