Vitas-M small molecule compound

(2E)-2-cyano-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(3-methoxypropyl)prop-2-enamide

Catalog ID
STK705489
SMILES COCCCNC(=O)/C(=C/c1c(Oc2cc(C)cc(c2)C)nc2n(c1=O)cccc2C)/C#N

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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 C25H26N4O4 MW 446.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O4/c1-16-11-17(2)13-20(12-16)33-24-21(14-19(15-26)23(30)27-8-6-10-32-4)25(31)29-9-5-7-18(3)22(29)28-24/h5,7,9,11-14H,6,8,10H2,1-4H3,(H,27,30)/b19-14+
InChIKey
GAJHNEQJIHPJHX-XMHGGMMESA-N
Synonyms
620537-16-8
(2E)2cyano3(2(35dimethylphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)N(3methoxypropyl)prop2enamide
(E)2cyano3(2(35dimethylphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)N(3methoxypropyl)acrylamide
(E)2CYANO3(2(35DIMETHYLPHENOXY)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)N(3METHOXYPROPYL)PROP2ENAMIDE
620537168
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)NCCCOC)OC3=CC(=CC(=C3)C)C
COCCCNC(=O)C(=Cc1c(Oc2cc(C)cc(c2)C)nc2n(c1=O)cccc2C)C#N
InChI=1SC25H26N4O4c1161117(2)1320(1216)332421(1419(1526)23(30)278610324)25(31)2995718(3)22(29)2824h5791114H6810H214H3(H2730)b1914+
MFCD04197321
ZINC000002436925
ZINC2436925

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Available files

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