Vitas-M small molecule compound

N-benzyl-5-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine

Catalog ID
STK544381
SMILES C1CCN(CC1)c1nc2sc3c(c2c2c1CCCC2)ncnc3NCc1ccccc1

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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 C25H27N5S MW 429.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5S/c1-3-9-17(10-4-1)15-26-23-22-21(27-16-28-23)20-18-11-5-6-12-19(18)24(29-25(20)31-22)30-13-7-2-8-14-30/h1,3-4,9-10,16H,2,5-8,11-15H2,(H,26,27,28)
InChIKey
LUTBOCKXSLDGNR-UHFFFAOYSA-N
Synonyms
497247-36-6
497247366
C1CCN(CC1)C2=C3CCCCC3=C4C5=C(C(=NC=N5)NCC6=CC=CC=C6)SC4=N2
InChI=1SC25H27N5Sc13917(1041)1526232221(27162823)201811561219(18)24(2925(20)3122)30137281430h13491016H2581115H2(H262728)
MFCD03298161
Nbenzyl5(piperidin1yl)1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8amine
ZINC000036006875
ZINC36006875

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Available files

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