Vitas-M small molecule compound

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

Catalog ID
STK558077
SMILES NCCNc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCCCC1

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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 C20H26N6S MW 382.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N6S/c21-8-9-22-18-17-16(23-12-24-18)15-13-6-2-3-7-14(13)19(25-20(15)27-17)26-10-4-1-5-11-26/h12H,1-11,21H2,(H,22,23,24)
InChIKey
QBLICLBVVLLVCD-UHFFFAOYSA-N
Synonyms
585550-69-2
585550692
C1CCN(CC1)C2=C3CCCCC3=C4C5=C(C(=NC=N5)NCCN)SC4=N2
InChI=1SC20H26N6Sc218922181716(23122418)1513623714(13)19(2520(15)2717)26104151126h12H11121H2(H222324)
MFCD04029949
N(5(piperidin1yl)1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)ethane12diamine
N1(5(piperidin1yl)1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)ethane12diamine
ZINC000002391284
ZINC2391284

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Available files

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