Vitas-M small molecule compound
1-(3-{(1E)-2-cyano-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-oxoprop-1-en-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
Catalog ID
STK906060
SMILES N#C/C(=C\c1c(nc2n(c1=O)cccc2C)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 C23H26N6O5S MW 498.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N6O5S/c1-14-3-2-7-29-20(14)27-21(28-8-4-15(5-9-28)19(25)30)18(23(29)32)11-16(12-24)22(31)26-17-6-10-35(33,34)13-17/h2-3,7,11,15,17H,4-6,8-10,13H2,1H3,(H2,25,30)(H,26,31)/b16-11+InChIKey
IEUXRJCXIVQKQL-LFIBNONCSA-NSynonyms
1164537-91-0(E)1(3(2cyano3((11dioxidotetrahydrothiophen3yl)amino)3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxamide
1(3((1E)2(N(11DIOXOTHIOLAN3YL)CARBAMOYL)2CYANOVINYL)9METHYL4OXO5HYDROPYRIDINO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXAMIDE
1(3((1E)2cyano3((11dioxidotetrahydrothiophen3yl)amino)3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxamide
1(3((E)2CYANO2(11DIOXOTETRAHYDRO1LAMBDA6THIOPHEN3YLCARBAMOYL)VINYL)9METHYL4OXO4HPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXYLICACIDAMIDE
1(3((E)2CYANO3((11DIOXOTHIOLAN3YL)AMINO)3OXOPROP1ENYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXAMIDE
1164537910
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)NC3CCS(=O)(=O)C3)N4CCC(CC4)C(=O)N
InChI=1SC23H26N6O5Sc1143272920(14)2721(288415(5928)19(25)30)18(23(29)32)1116(1224)22(31)261761035(3334)1317h237111517H4681013H21H3(H22530)(H2631)b1611+
MFCD03669769
N#CC(=Cc1c(nc2n(c1=O)cccc2C)N1CCC(CC1)C(=O)N)C(=O)NC1CCS(=O)(=O)C1
ZINC000008682513
ZINC000008682514
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