Vitas-M small molecule compound
ethyl 1-{3-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-3-carboxylate
Catalog ID
STK881425
SMILES CCOC(=O)C1CCCN(C1)c1nc2c(C)cccn2c(=O)c1/C=C(/C(=O)NCc1ccccc1)\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 C28H29N5O4 MW 499.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O4/c1-3-37-28(36)21-12-8-13-32(18-21)25-23(27(35)33-14-7-9-19(2)24(33)31-25)15-22(16-29)26(34)30-17-20-10-5-4-6-11-20/h4-7,9-11,14-15,21H,3,8,12-13,17-18H2,1-2H3,(H,30,34)/b22-15+InChIKey
AXSRZJOPYJNEKA-PXLXIMEGSA-NSynonyms
799770-30-2(E)ethyl1(3(3(benzylamino)2cyano3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine3carboxylate
799770302
CCOC(=O)C1CCCN(C1)c1nc2c(C)cccn2c(=O)c1C=C(C(=O)NCc1ccccc1)C#N
CCOC(=O)C1CCCN(C1)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)C(=O)NCC4=CC=CC=C4
ETHYL1(3((1E)2(BENZYLCARBAMOYL)2CYANOETH1EN1YL)9METHYL4OXO4HPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE3CARBOXYLATE
ethyl1(3((1E)3(benzylamino)2cyano3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine3carboxylate
ETHYL1(3((E)3(BENZYLAMINO)2CYANO3OXOPROP1ENYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE3CARBOXYLATE
InChI=1SC28H29N5O4c133728(36)211281332(1821)2523(27(35)33147919(2)24(33)3125)1522(1629)26(34)301720105461120h47911141521H3812131718H212H3(H3034)b2215+
MFCD03671428
ZINC000009075518
ZINC000009075519
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