Vitas-M small molecule compound
(2E)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(2-chlorophenyl)-2-cyanoprop-2-enamide
Catalog ID
STK800853
SMILES N#C/C(=C\c1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2)/C(=O)Nc1ccccc1Cl
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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)19-11-13-20(14-12-19)36-26-21(27(35)33-15-7-6-10-24(33)32-26)16-18(17-30)25(34)31-23-9-5-4-8-22(23)29/h4-16H,1-3H3,(H,31,34)/b18-16+InChIKey
LLERODCSCWBYEF-FBMGVBCBSA-NSynonyms
(2E)3(2(4tertbutylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)N(2chlorophenyl)2cyanoprop2enamide
(E)3(2(4tertbutylphenoxy)4oxopyrido(12a)pyrimidin3yl)N(2chlorophenyl)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=CC=C4Cl
InChI=1SC28H23ClN4O3c128(23)19111320(141219)362621(27(35)3315761024(33)3226)1618(1730)25(34)3123954822(23)29h416H13H3(H3134)b1816+
MFCD04447209
N#CC(=Cc1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2)C(=O)Nc1ccccc1Cl
ZINC000016736001
ZINC16736001
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