Vitas-M small molecule compound

2-methyl-6-[(2-methylprop-2-en-1-yl)oxy]-3-(3-{[4-(pyridin-2-yl)piperazin-1-yl]carbonyl}phenyl)quinazolin-4(3H)-one

Catalog ID
STK647116
SMILES CC(=C)COc1ccc2c(c1)c(=O)n(c(n2)C)c1cccc(c1)C(=O)N1CCN(CC1)c1ccccn1

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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 C29H29N5O3 MW 495.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O3/c1-20(2)19-37-24-10-11-26-25(18-24)29(36)34(21(3)31-26)23-8-6-7-22(17-23)28(35)33-15-13-32(14-16-33)27-9-4-5-12-30-27/h4-12,17-18H,1,13-16,19H2,2-3H3
InChIKey
UOYDABQJQDAPDU-UHFFFAOYSA-N
Synonyms
1040713-14-1
1040713141
2methyl6((2methylallyl)oxy)3(3(4(pyridin2yl)piperazine1carbonyl)phenyl)quinazolin4(3H)one
2methyl6((2methylprop2en1yl)oxy)3(3((4(pyridin2yl)piperazin1yl)carbonyl)phenyl)quinazolin4(3H)one
2methyl6(2methylprop2enoxy)3(3(4pyridin2ylpiperazine1carbonyl)phenyl)quinazolin4one
CC1=NC2=C(C=C(C=C2)OCC(=C)C)C(=O)N1C3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=N5
InChI=1SC29H29N5O3c120(2)19372410112625(1824)29(36)34(21(3)3126)2386722(1723)28(35)33151332(141633)27945123027h4121718H1131619H223H3
MFCD12206365
ZINC000020721560
ZINC20721560

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.