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-(prop-2-en-1-yl)prop-2-enamide
Catalog ID
STK881415
SMILES C=CCNC(=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 C27H28N6O2 MW 468.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N6O2/c1-3-11-29-26(34)22(18-28)17-23-25(30-24-20(2)8-7-12-33(24)27(23)35)32-15-13-31(14-16-32)19-21-9-5-4-6-10-21/h3-10,12,17H,1,11,13-16,19H2,2H3,(H,29,34)/b22-17+InChIKey
SJQNCQGRNGHRCS-OQKWZONESA-NSynonyms
799773-42-5(2E)3(2(4benzylpiperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(prop2en1yl)prop2enamide
(E)3(2(4BENZYLPIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANONPROP2ENYLPROP2ENAMIDE
(E)Nallyl3(2(4benzylpiperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoacrylamide
799773425
C=CCNC(=O)C(=Cc1c(nc2n(c1=O)cccc2C)N1CCN(CC1)Cc1ccccc1)C#N
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)NCC=C)N3CCN(CC3)CC4=CC=CC=C4
InChI=1SC27H28N6O2c13112926(34)22(1828)172325(302420(2)871233(24)27(23)35)32151331(141632)192195461021h3101217H111131619H22H3(H2934)b2217+
MFCD03672601
ZINC000020170861
ZINC20170861
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