Vitas-M small molecule compound

1-(3-{(1E)-2-cyano-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-oxoprop-1-en-1-yl}-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide

Catalog ID
STK997346
SMILES N#C/C(=C\c1c(nc2n(c1=O)cccc2)N1CCC(CC1)C(=O)N)/C(=O)NC1CCS(=O)(=O)C1

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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 C22H24N6O5S MW 484.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N6O5S/c23-12-15(21(30)25-16-6-10-34(32,33)13-16)11-17-20(27-8-4-14(5-9-27)19(24)29)26-18-3-1-2-7-28(18)22(17)31/h1-3,7,11,14,16H,4-6,8-10,13H2,(H2,24,29)(H,25,30)/b15-11+
InChIKey
NDTQGCKQCQJXLZ-RVDMUPIBSA-N
Synonyms
796880-98-3
(E)1(3(2cyano3((11dioxidotetrahydrothiophen3yl)amino)3oxoprop1en1yl)4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxamide
1(3((1E)2cyano3((11dioxidotetrahydrothiophen3yl)amino)3oxoprop1en1yl)4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxamide
1(3((E)2CYANO3((11DIOXOTHIOLAN3YL)AMINO)3OXOPROP1ENYL)4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXAMIDE
796880983
C1CN(CCC1C(=O)N)C2=C(C(=O)N3C=CC=CC3=N2)C=C(C#N)C(=O)NC4CCS(=O)(=O)C4
InChI=1SC22H24N6O5Sc231215(21(30)251661034(3233)1316)111720(278414(5927)19(24)29)2618312728(18)22(17)31h137111416H4681013H2(H22429)(H2530)b1511+
MFCD03670378
N#CC(=Cc1c(nc2n(c1=O)cccc2)N1CCC(CC1)C(=O)N)C(=O)NC1CCS(=O)(=O)C1
ZINC000002201915
ZINC000009003805

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Available files

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