Vitas-M small molecule compound
(2E)-3-[2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(2-methoxyethyl)prop-2-enamide
Catalog ID
STK881270
SMILES COCCNC(=O)/C(=C/c1c(nc2n(c1=O)cccc2C)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/c1-20-7-6-11-33-24(20)30-25(23(27(33)35)17-22(18-28)26(34)29-10-16-36-2)32-14-12-31(13-15-32)19-21-8-4-3-5-9-21/h3-9,11,17H,10,12-16,19H2,1-2H3,(H,29,34)/b22-17+InChIKey
PZVRIVWLPZASPL-OQKWZONESA-NSynonyms
796878-37-0(2E)3(2(4benzylpiperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(2methoxyethyl)prop2enamide
(E)3(2(4benzylpiperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(2methoxyethyl)acrylamide
(E)3(2(4BENZYLPIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANON(2METHOXYETHYL)PROP2ENAMIDE
796878370
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)NCCOC)N3CCN(CC3)CC4=CC=CC=C4
COCCNC(=O)C(=Cc1c(nc2n(c1=O)cccc2C)N1CCN(CC1)Cc1ccccc1)C#N
InChI=1SC27H30N6O3c12076113324(20)3025(23(27(33)35)1722(1828)26(34)291016362)32141231(131532)19218435921h391117H10121619H212H3(H2934)b2217+
MFCD03669568
ZINC000013648365
ZINC13648365
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