Vitas-M small molecule compound

(2E)-3-[2-(4-bromophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(2-phenylethyl)prop-2-enamide

Catalog ID
STK801116
SMILES N#C/C(=C\c1c(Oc2ccc(cc2)Br)nc2n(c1=O)cccc2C)/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 C27H21BrN4O3 MW 529.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21BrN4O3/c1-18-6-5-15-32-24(18)31-26(35-22-11-9-21(28)10-12-22)23(27(32)34)16-20(17-29)25(33)30-14-13-19-7-3-2-4-8-19/h2-12,15-16H,13-14H2,1H3,(H,30,33)/b20-16+
InChIKey
UMCWZAONCGVNLE-CAPFRKAQSA-N
Synonyms
620111-41-3
(2E)3(2(4bromophenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(2phenylethyl)prop2enamide
(E)3(2(4bromophenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoNphenethylacrylamide
(E)3(2(4bromophenoxy)9methyl4oxopyrido(12a)pyrimidin3yl)2cyanoN(2phenylethyl)prop2enamide
(E)3(2(4BROMOPHENOXY)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANONPHENETHYLPROP2ENAMIDE
620111413
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)NCCC3=CC=CC=C3)OC4=CC=C(C=C4)Br
InChI=1SC27H21BrN4O3c11865153224(18)3126(352211921(28)101222)23(27(32)34)1620(1729)25(33)301413197324819h2121516H1314H21H3(H3033)b2016+
MFCD04447282
N#CC(=Cc1c(Oc2ccc(cc2)Br)nc2n(c1=O)cccc2C)C(=O)NCCc1ccccc1
ZINC000100903246
ZINC100903246

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Available files

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