Vitas-M small molecule compound
1-{3-[(1E)-2-cyano-3-oxo-3-(prop-2-en-1-ylamino)prop-1-en-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide
Catalog ID
STK906227
SMILES C=CCNC(=O)/C(=C/c1c(nc2n(c1=O)cccc2C)N1CCC(CC1)C(=O)N)/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 C22H24N6O3 MW 420.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N6O3/c1-3-8-25-21(30)16(13-23)12-17-20(27-10-6-15(7-11-27)18(24)29)26-19-14(2)5-4-9-28(19)22(17)31/h3-5,9,12,15H,1,6-8,10-11H2,2H3,(H2,24,29)(H,25,30)/b16-12+InChIKey
RSEWTOFCCUOPTH-FOWTUZBSSA-NSynonyms
877793-43-6(E)1(3(3(allylamino)2cyano3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxamide
1(3((1E)2cyano3oxo3(prop2en1ylamino)prop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxamide
1(3((E)2CYANO3OXO3(PROP2ENYLAMINO)PROP1ENYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXAMIDE
877793436
C=CCNC(=O)C(=Cc1c(nc2n(c1=O)cccc2C)N1CCC(CC1)C(=O)N)C#N
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)NCC=C)N3CCC(CC3)C(=O)N
InChI=1SC22H24N6O3c1382521(30)16(1323)121720(2710615(71127)18(24)29)261914(2)54928(19)22(17)31h3591215H1681011H22H3(H22429)(H2530)b1612+
MFCD03672953
ZINC000005563171
ZINC5563171
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