Vitas-M small molecule compound

N,N-dibutyl-5-phenyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine

Catalog ID
STK721248
SMILES CCCCN(c1ncnc2c1sc1c2c2CCCCc2c(n1)c1ccccc1)CCCC

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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 C27H32N4S MW 444.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N4S/c1-3-5-16-31(17-6-4-2)26-25-24(28-18-29-26)22-20-14-10-11-15-21(20)23(30-27(22)32-25)19-12-8-7-9-13-19/h7-9,12-13,18H,3-6,10-11,14-17H2,1-2H3
InChIKey
ZDJACPCMNHXVIX-UHFFFAOYSA-N
Synonyms

CCCCN(CCCC)C1=NC=NC2=C1SC3=NC(=C4CCCCC4=C23)C5=CC=CC=C5
InChI=1SC27H32N4Sc1351631(17642)262524(28182926)22201410111521(20)23(3027(22)3225)19128791319h79121318H3610111417H212H3
MFCD02236206
NNdibutyl5phenyl1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8amine
ZINC000009311222
ZINC09311222
ZINC9311222

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Available files

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