Vitas-M small molecule compound
(2E)-N-benzyl-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enamide
Catalog ID
STK704493
SMILES N#C/C(=C\c1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2)/C(=O)NCc1ccccc1
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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 C29H26N4O3 MW 478.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N4O3/c1-29(2,3)22-12-14-23(15-13-22)36-27-24(28(35)33-16-8-7-11-25(33)32-27)17-21(18-30)26(34)31-19-20-9-5-4-6-10-20/h4-17H,19H2,1-3H3,(H,31,34)/b21-17+InChIKey
KLNWZQSWBJEARZ-HEHNFIMWSA-NSynonyms
620104-89-4(2E)Nbenzyl3(2(4tertbutylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoprop2enamide
(E)Nbenzyl3(2(4(tertbutyl)phenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoacrylamide
(E)NBENZYL3(2(4TERTBUTYLPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANOPROP2ENAMIDE
620104894
CC(C)(C)C1=CC=C(C=C1)OC2=C(C(=O)N3C=CC=CC3=N2)C=C(C#N)C(=O)NCC4=CC=CC=C4
InChI=1SC29H26N4O3c129(23)22121423(151322)362724(28(35)3316871125(33)3227)1721(1830)26(34)31192095461020h417H19H213H3(H3134)b2117+
MFCD04446540
N#CC(=Cc1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2)C(=O)NCc1ccccc1
ZINC000013806344
ZINC13806344
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