Vitas-M small molecule compound

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-4-carboxamide

Catalog ID
STK905581
SMILES N#C/C(=C\c1c(nc2n(c1=O)cccc2C)N1CCC(CC1)C(=O)N)/C(=O)NCc1ccccc1

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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 C26H26N6O3 MW 470.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N6O3/c1-17-6-5-11-32-23(17)30-24(31-12-9-19(10-13-31)22(28)33)21(26(32)35)14-20(15-27)25(34)29-16-18-7-3-2-4-8-18/h2-8,11,14,19H,9-10,12-13,16H2,1H3,(H2,28,33)(H,29,34)/b20-14+
InChIKey
REBZMDIRLUDKHU-XSFVSMFZSA-N
Synonyms
862245-98-5
(E)1(3(3(benzylamino)2cyano3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxamide
1(3((1E)3(benzylamino)2cyano3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxamide
1(3((E)2BENZYLCARBAMOYL2CYANOVINYL)9METHYL4OXO4HPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXYLICACIDAMIDE
1(3((E)3(BENZYLAMINO)2CYANO3OXOPROP1ENYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXAMIDE
862245985
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)NCC3=CC=CC=C3)N4CCC(CC4)C(=O)N
InChI=1SC26H26N6O3c11765113223(17)3024(3112919(101331)22(28)33)21(26(32)35)1420(1527)25(34)2916187324818h28111419H910121316H21H3(H22833)(H2934)b2014+
MFCD03668677
N#CC(=Cc1c(nc2n(c1=O)cccc2C)N1CCC(CC1)C(=O)N)C(=O)NCc1ccccc1
ZINC000009292302
ZINC9292302

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Available files

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