Vitas-M small molecule compound
ethyl 1-(3-{(1E)-2-cyano-3-[(furan-2-ylmethyl)amino]-3-oxoprop-1-en-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxylate
Catalog ID
STK706787
SMILES CCOC(=O)C1CCN(CC1)c1nc2c(C)cccn2c(=O)c1/C=C(/C(=O)NCc1ccco1)\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 C26H27N5O5 MW 489.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N5O5/c1-3-35-26(34)18-8-11-30(12-9-18)23-21(25(33)31-10-4-6-17(2)22(31)29-23)14-19(15-27)24(32)28-16-20-7-5-13-36-20/h4-7,10,13-14,18H,3,8-9,11-12,16H2,1-2H3,(H,28,32)/b19-14+InChIKey
UBUSLNHMVYQJEJ-XMHGGMMESA-NSynonyms
799771-16-7(E)ethyl1(3(2cyano3((furan2ylmethyl)amino)3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
799771167
CCOC(=O)C1CCN(CC1)c1nc2c(C)cccn2c(=O)c1C=C(C(=O)NCc1ccco1)C#N
CCOC(=O)C1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)C(=O)NCC4=CC=CO4
ethyl1(3((1E)2cyano3((furan2ylmethyl)amino)3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
ETHYL1(3((E)2CYANO3(FURAN2YLMETHYLAMINO)3OXOPROP1ENYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXYLATE
InChI=1SC26H27N5O5c133526(34)1881130(12918)2321(25(33)31104617(2)22(31)2923)1419(1527)24(32)28162075133620h4710131418H389111216H212H3(H2832)b1914+
MFCD03671752
ZINC000008739546
ZINC8739546
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