Vitas-M small molecule compound

(2E)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(4-chlorophenyl)-2-cyanoprop-2-enamide

Catalog ID
STK800059
SMILES N#C/C(=C\c1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2)/C(=O)Nc1ccc(cc1)Cl

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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 C28H23ClN4O3 MW 498.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23ClN4O3/c1-28(2,3)19-7-13-22(14-8-19)36-26-23(27(35)33-15-5-4-6-24(33)32-26)16-18(17-30)25(34)31-21-11-9-20(29)10-12-21/h4-16H,1-3H3,(H,31,34)/b18-16+
InChIKey
IZYWIYCXOBMXLY-FBMGVBCBSA-N
Synonyms

(2E)3(2(4tertbutylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)N(4chlorophenyl)2cyanoprop2enamide
(E)3(2(4tertbutylphenoxy)4oxopyrido(12a)pyrimidin3yl)N(4chlorophenyl)2cyanoprop2enamide
CC(C)(C)C1=CC=C(C=C1)OC2=C(C(=O)N3C=CC=CC3=N2)C=C(C#N)C(=O)NC4=CC=C(C=C4)Cl
InChI=1SC28H23ClN4O3c128(23)1971322(14819)362623(27(35)331554624(33)3226)1618(1730)25(34)312111920(29)101221h416H13H3(H3134)b1816+
MFCD04447034
N#CC(=Cc1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2)C(=O)Nc1ccc(cc1)Cl
ZINC000016735408
ZINC16735408

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Available files

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