Vitas-M small molecule compound

ethyl (2E)-3-[2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate

Catalog ID
STK881413
SMILES CCOC(=O)/C(=C/c1c(nc2n(c1=O)cccc2C)N1CCN(CC1)Cc1ccccc1)/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 C26H27N5O3 MW 457.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N5O3/c1-3-34-26(33)21(17-27)16-22-24(28-23-19(2)8-7-11-31(23)25(22)32)30-14-12-29(13-15-30)18-20-9-5-4-6-10-20/h4-11,16H,3,12-15,18H2,1-2H3/b21-16+
InChIKey
SIUCYPPSONQWOE-LTGZKZEYSA-N
Synonyms
796877-08-2
(E)ethyl3(2(4benzylpiperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoacrylate
796877082
CCOC(=O)C(=CC1=C(N=C2C(=CC=CN2C1=O)C)N3CCN(CC3)CC4=CC=CC=C4)C#N
CCOC(=O)C(=Cc1c(nc2n(c1=O)cccc2C)N1CCN(CC1)Cc1ccccc1)C#N
ethyl(2E)3(2(4benzylpiperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoprop2enoate
ETHYL(E)3(2(4BENZYLPIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANOPROP2ENOATE
InChI=1SC26H27N5O3c133426(33)21(1727)162224(282319(2)871131(23)25(22)32)30141229(131530)182095461020h41116H3121518H212H3b2116+
MFCD03669079
ZINC000020150241
ZINC20150241

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Available files

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