Vitas-M small molecule compound
(2E)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
Catalog ID
STK801114
SMILES N#C/C(=C\c1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2C)/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 C27H28N4O5S MW 520.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O5S/c1-17-6-5-12-31-23(17)30-25(36-21-9-7-19(8-10-21)27(2,3)4)22(26(31)33)14-18(15-28)24(32)29-20-11-13-37(34,35)16-20/h5-10,12,14,20H,11,13,16H2,1-4H3,(H,29,32)/b18-14+InChIKey
ABTPVSFLQYDKIJ-NBVRZTHBSA-NSynonyms
620111-18-4(2E)3(2(4tertbutylphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(11dioxidotetrahydrothiophen3yl)prop2enamide
(E)3(2(4(tertbutyl)phenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(11dioxidotetrahydrothiophen3yl)acrylamide
(E)3(2(4TERTBUTYLPHENOXY)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANON(11DIOXOTHIOLAN3YL)PROP2ENAMIDE
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)NC3CCS(=O)(=O)C3)OC4=CC=C(C=C4)C(C)(C)C
N#CC(=Cc1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2C)C(=O)NC1CCS(=O)(=O)C1
Registry IDs
MFCD04447278ZINC000009003979
ZINC000009003980
Check stock
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Check stock on Vitas-MAvailable files
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