Vitas-M small molecule compound
(2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide
Catalog ID
STK904643
SMILES CCOc1ccc(cc1)NC(=O)/C(=C/c1c(nc2n(c1=O)cccc2)N1CCCCCC1)/C#N
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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 C26H27N5O3 MW 457.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N5O3/c1-2-34-21-12-10-20(11-13-21)28-25(32)19(18-27)17-22-24(30-14-6-3-4-7-15-30)29-23-9-5-8-16-31(23)26(22)33/h5,8-13,16-17H,2-4,6-7,14-15H2,1H3,(H,28,32)/b19-17+InChIKey
CAGIPHUZCWXPGX-HTXNQAPBSA-NSynonyms
796880-13-2(2E)3(2(azepan1yl)4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(4ethoxyphenyl)prop2enamide
(E)3(2(azepan1yl)4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(4ethoxyphenyl)acrylamide
(E)3(2(AZEPAN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANON(4ETHOXYPHENYL)PROP2ENAMIDE
796880132
CCOC1=CC=C(C=C1)NC(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCCCCC4)C#N
CCOc1ccc(cc1)NC(=O)C(=Cc1c(nc2n(c1=O)cccc2)N1CCCCCC1)C#N
InChI=1SC26H27N5O3c123421121020(111321)2825(32)19(1827)172224(301463471530)29239581631(23)26(22)33h58131617H24671415H21H3(H2832)b1917+
MFCD03670106
ZINC000002201456
ZINC2201456
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