Vitas-M small molecule compound
(2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
Catalog ID
STK904649
SMILES N#C/C(=C\c1c(nc2n(c1=O)cccc2)N1CCCCCC1)/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 C22H25N5O4S MW 455.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O4S/c23-14-16(21(28)24-17-8-12-32(30,31)15-17)13-18-20(26-9-4-1-2-5-10-26)25-19-7-3-6-11-27(19)22(18)29/h3,6-7,11,13,17H,1-2,4-5,8-10,12,15H2,(H,24,28)/b16-13+InChIKey
VCCPJYKYKXGGMX-DTQAZKPQSA-NSynonyms
1164488-59-8(2E)3(2(azepan1yl)4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(11dioxidotetrahydrothiophen3yl)prop2enamide
(E)3(2(azepan1yl)4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(11dioxidotetrahydrothiophen3yl)acrylamide
(E)3(2(AZEPAN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANON(11DIOXOTHIOLAN3YL)PROP2ENAMIDE
(E)3(2AZEPAN1YL4OXO4HPYRIDO(12A)PYRIMIDIN3YL)2CYANON(11DIOXOTETRAHYDRO1LAMBDA6THIOPHEN3YL)ACRYLAMIDE
1164488598
C1CCCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)C=C(C#N)C(=O)NC4CCS(=O)(=O)C4
InChI=1SC22H25N5O4Sc231416(21(28)241781232(3031)1517)131820(26941251026)25197361127(19)22(18)29h367111317H12458101215H2(H2428)b1613+
MFCD03670080
N#CC(=Cc1c(nc2n(c1=O)cccc2)N1CCCCCC1)C(=O)NC1CCS(=O)(=O)C1
ZINC000002201410
ZINC000008691448
Check stock
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Check stock on Vitas-MAvailable files
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