Vitas-M small molecule compound
3-{[(E)-{3-[(3,3-dimethylpiperidin-1-yl)methyl]-4-methoxyphenyl}methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Catalog ID
STL334113
SMILES COc1ccc(cc1CN1CCCC(C1)(C)C)/C=N/n1c(C)nc2c(c1=O)[nH]c1c2cccc1
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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 C27H31N5O2 MW 457.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N5O2/c1-18-29-24-21-8-5-6-9-22(21)30-25(24)26(33)32(18)28-15-19-10-11-23(34-4)20(14-19)16-31-13-7-12-27(2,3)17-31/h5-6,8-11,14-15,30H,7,12-13,16-17H2,1-4H3/b28-15+InChIKey
HHTCHYVNZVXWES-RWPZCVJISA-NSynonyms
488797-19-9(E)3((3((33dimethylpiperidin1yl)methyl)4methoxybenzylidene)amino)2methyl3Hpyrimido(54b)indol4(5H)one
3(((E)(3((33dimethylpiperidin1yl)methyl)4methoxyphenyl)methylidene)amino)2methyl35dihydro4Hpyrimido(54b)indol4one
3((1(3(33DIMETHYLPIPERIDIN1YLMETHYL)4METHOXYPHENYL)METH(E)YLIDENE)AMINO)2METHYL35DIHYDROPYRIMIDO(54B)INDOL4ONE
3((E)(3((33dimethylpiperidin1yl)methyl)4methoxyphenyl)methylideneamino)2methyl5Hpyrimido(54b)indol4one
488797199
CC1=NC2=C(C(=O)N1N=CC3=CC(=C(C=C3)OC)CN4CCCC(C4)(C)C)NC5=CC=CC=C52
COc1ccc(cc1CN1CCCC(C1)(C)C)C=Nn1c(C)nc2c(c1=O)(nH)c1c2cccc1
InChI=1SC27H31N5O2c118292421856922(21)3025(24)26(33)32(18)281519101123(344)20(1419)16311371227(23)1731h56811141530H712131617H214H3b2815+
MFCD03292929
ZINC000002342743
ZINC15979103
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.