Vitas-M small molecule compound
(2E)-3-[2-(4-benzylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide
Catalog ID
STL232976
SMILES COCCCNC(=O)/C(=C/c1c(nc2n(c1=O)cccc2)N1CCN(CC1)Cc1ccccc1)/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 C27H30N6O3 MW 486.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N6O3/c1-36-17-7-11-29-26(34)22(19-28)18-23-25(30-24-10-5-6-12-33(24)27(23)35)32-15-13-31(14-16-32)20-21-8-3-2-4-9-21/h2-6,8-10,12,18H,7,11,13-17,20H2,1H3,(H,29,34)/b22-18+InChIKey
IAAQUDFGDHCXAD-RELWKKBWSA-NSynonyms
796876-88-5(2E)3(2(4benzylpiperazin1yl)4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(3methoxypropyl)prop2enamide
(E)3(2(4benzylpiperazin1yl)4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(3methoxypropyl)acrylamide
(E)3(2(4BENZYLPIPERAZIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANON(3METHOXYPROPYL)PROP2ENAMIDE
796876885
COCCCNC(=O)C(=CC1=C(N=C2C=CC=CN2C1=O)N3CCN(CC3)CC4=CC=CC=C4)C#N
COCCCNC(=O)C(=Cc1c(nc2n(c1=O)cccc2)N1CCN(CC1)Cc1ccccc1)C#N
InChI=1SC27H30N6O3c136177112926(34)22(1928)182325(302410561233(24)27(23)35)32151331(141632)20218324921h268101218H711131720H21H3(H2934)b2218+
MFCD03668995
ZINC000020150238
ZINC20150238
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