Vitas-M small molecule compound

ethyl (2E)-3-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-2-cyanoprop-2-enoate

Catalog ID
STK905640
SMILES CCOC(=O)/C(=C/c1c(nc2n(c1=O)cccc2C)N1CCN(CC1)Cc1ccc2c(c1)OCO2)/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 C27H27N5O5 MW 501.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O5/c1-3-35-27(34)20(15-28)14-21-25(29-24-18(2)5-4-8-32(24)26(21)33)31-11-9-30(10-12-31)16-19-6-7-22-23(13-19)37-17-36-22/h4-8,13-14H,3,9-12,16-17H2,1-2H3/b20-14+
InChIKey
NJOAFPNHDYSMDG-XSFVSMFZSA-N
Synonyms
877782-49-5
(E)3(2(4BENZO(13)DIOXOL5YLMETHYLPIPERAZIN1YL)9METHYL4OXO4HPYRIDO(12A)PYRIMIDIN3YL)2CYANOACRYLICACIDETHYLESTER
(E)ethyl3(2(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoacrylate
877782495
CCOC(=O)C(=CC1=C(N=C2C(=CC=CN2C1=O)C)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C#N
CCOC(=O)C(=Cc1c(nc2n(c1=O)cccc2C)N1CCN(CC1)Cc1ccc2c(c1)OCO2)C#N
ethyl(2E)3(2(4(13benzodioxol5ylmethyl)piperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoprop2enoate
ETHYL(E)3(2(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANOPROP2ENOATE
InChI=1SC27H27N5O5c133527(34)20(1528)142125(292418(2)54832(24)26(21)33)3111930(101231)1619672223(1319)37173622h481314H39121617H212H3b2014+
MFCD03669426
ZINC000013122604
ZINC13122604

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Available files

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