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(2E)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)prop-2-enamide

Catalog ID
STK706155
SMILES N#C/C(=C\c1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2)/C(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C

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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 C33H30N6O4 MW 574.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N6O4/c1-21-28(32(42)39(37(21)5)24-11-7-6-8-12-24)36-29(40)22(20-34)19-26-30(35-27-13-9-10-18-38(27)31(26)41)43-25-16-14-23(15-17-25)33(2,3)4/h6-19H,1-5H3,(H,36,40)/b22-19+
InChIKey
KAYHUFSEOKUVJC-ZBJSNUHESA-N
Synonyms
620104-92-9
(2E)3(2(4tertbutylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)prop2enamide
(E)3(2(4(tertbutyl)phenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)acrylamide
(E)3(2(4TERTBUTYLPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANON(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)PROP2ENAMIDE
620104929
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)OC5=CC=C(C=C5)C(C)(C)C)C#N
InChI=1SC33H30N6O4c12128(32(42)39(37(21)5)24117681224)3629(40)22(2034)192630(3527139101838(27)31(26)41)4325161423(151725)33(23)4h619H15H3(H3640)b2219+
MFCD05733010
N#CC(=Cc1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2)C(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C
ZINC000002605468
ZINC2605468

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Available files

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