Vitas-M small molecule compound

8-[(3-methylbutyl)sulfanyl]-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline

Catalog ID
STK532497
SMILES CCCc1nc2sc3c(c2c2c1CCCC2)ncnc3SCCC(C)C

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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 C21H27N3S2 MW 385.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3S2/c1-4-7-16-14-8-5-6-9-15(14)17-18-19(26-20(17)24-16)21(23-12-22-18)25-11-10-13(2)3/h12-13H,4-11H2,1-3H3
InChIKey
RNZJKLPJLUBERH-UHFFFAOYSA-N
Synonyms

8((3methylbutyl)sulfanyl)5propyl1234tetrahydropyrimido(4545)thieno(23c)isoquinoline
8(isopentylthio)5propyl1234tetrahydropyrimido(4545)thieno(23c)isoquinoline
CCCC1=C2CCCCC2=C3C4=C(C(=NC=N4)SCCC(C)C)SC3=N1
InChI=1SC21H27N3S2c1471614856915(14)171819(2620(17)2416)21(23122218)25111013(2)3h1213H411H213H3
MFCD02241132
ZINC000001792322
ZINC01792322
ZINC1792322

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Available files

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