Vitas-M small molecule compound
methyl 4-chloro-2-({(Z)-[5-cyano-1-(3-methoxypropyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}amino)benzoate
Catalog ID
STK719203
SMILES COCCCN1C(=O)/C(=C\Nc2cc(Cl)ccc2C(=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 C20H20ClN3O5 MW 417.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN3O5/c1-12-15(10-22)18(25)24(7-4-8-28-2)19(26)16(12)11-23-17-9-13(21)5-6-14(17)20(27)29-3/h5-6,9,11,23H,4,7-8H2,1-3H3/b16-11-InChIKey
JYLZTEDSEXCXBG-WJDWOHSUSA-NSynonyms
(Z)methyl4chloro2(((5cyano1(3methoxypropyl)4methyl26dioxo16dihydropyridin3(2H)ylidene)methyl)amino)benzoate
CC1=C(C(=O)N(C(=O)C1=CNC2=C(C=CC(=C2)Cl)C(=O)OC)CCCOC)C#N
COCCCN1C(=O)C(=CNc2cc(Cl)ccc2C(=O)OC)C(=C(C1=O)C#N)C
InChI=1SC20H20ClN3O5c11215(1022)18(25)24(748282)19(26)16(12)112317913(21)5614(17)20(27)293h5691123H478H213H3b1611
methyl4chloro2(((Z)(5cyano1(3methoxypropyl)4methyl26dioxo16dihydropyridin3(2H)ylidene)methyl)amino)benzoate
methyl4chloro2(((Z)(5cyano1(3methoxypropyl)4methyl26dioxopyridin3ylidene)methyl)amino)benzoate
MFCD08746874
ZINC000009304937
ZINC09304937
ZINC9304937
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