Vitas-M small molecule compound

(2E)-2-cyano-3-[2-(2,4-dichlorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)prop-2-enamide

Catalog ID
STK801170
SMILES N#C/C(=C\c1c(Oc2ccc(cc2Cl)Cl)nc2n(c1=O)cccc2)/C(=O)NCCc1ccccc1

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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 C26H18Cl2N4O3 MW 505.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18Cl2N4O3/c27-19-9-10-22(21(28)15-19)35-25-20(26(34)32-13-5-4-8-23(32)31-25)14-18(16-29)24(33)30-12-11-17-6-2-1-3-7-17/h1-10,13-15H,11-12H2,(H,30,33)/b18-14+
InChIKey
VKHQYJOCBCCYSC-NBVRZTHBSA-N
Synonyms
620109-86-6
(2E)2cyano3(2(24dichlorophenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)N(2phenylethyl)prop2enamide
(E)2cyano3(2(24dichlorophenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)Nphenethylacrylamide
(E)2cyano3(2(24dichlorophenoxy)4oxopyrido(12a)pyrimidin3yl)N(2phenylethyl)prop2enamide
(E)2CYANO3(2(24DICHLOROPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)NPHENETHYLPROP2ENAMIDE
620109866
C1=CC=C(C=C1)CCNC(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)OC4=C(C=C(C=C4)Cl)Cl)C#N
InChI=1SC26H18Cl2N4O3c271991022(21(28)1519)352520(26(34)321354823(32)3125)1418(1629)24(33)301211176213717h1101315H1112H2(H3033)b1814+
MFCD04447319
N#CC(=Cc1c(Oc2ccc(cc2Cl)Cl)nc2n(c1=O)cccc2)C(=O)NCCc1ccccc1
ZINC000009345359
ZINC9345359

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.