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-3-carboxylate
Catalog ID
STK906269
SMILES CCOC(=O)C1CCCN(C1)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)18-8-5-10-30(16-18)23-21(25(33)31-11-4-7-17(2)22(31)29-23)13-19(14-27)24(32)28-15-20-9-6-12-36-20/h4,6-7,9,11-13,18H,3,5,8,10,15-16H2,1-2H3,(H,28,32)/b19-13+InChIKey
LTWHQPOXHJTUBD-CPNJWEJPSA-NSynonyms
849915-74-8(E)ethyl1(3(2cyano3((furan2ylmethyl)amino)3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine3carboxylate
1(3((E)2CYANO2((FURAN2YLMETHYL)CARBAMOYL)VINYL)9METHYL4OXO4HPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE3CARBOXYLICACIDETHYLESTER
849915748
CCOC(=O)C1CCCN(C1)c1nc2c(C)cccn2c(=O)c1C=C(C(=O)NCc1ccco1)C#N
CCOC(=O)C1CCCN(C1)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)piperidine3carboxylate
ETHYL1(3((E)2CYANO3(FURAN2YLMETHYLAMINO)3OXOPROP1ENYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE3CARBOXYLATE
InChI=1SC26H27N5O5c133526(34)18851030(1618)2321(25(33)31114717(2)22(31)2923)1319(1427)24(32)28152096123620h4679111318H358101516H212H3(H2832)b1913+
MFCD03669181
ZINC000009500922
ZINC000009500929
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