Vitas-M small molecule compound

8-butoxy-5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline

Catalog ID
STK539158
SMILES CCCCOc1ncnc2c1sc1c2c2CCCCc2c(n1)CC(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 C21H27N3OS MW 369.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3OS/c1-4-5-10-25-20-19-18(22-12-23-20)17-15-9-7-6-8-14(15)16(11-13(2)3)24-21(17)26-19/h12-13H,4-11H2,1-3H3
InChIKey
QTGGCZOGJHVTRD-UHFFFAOYSA-N
Synonyms
384800-99-1
384800991
8butoxy5(2methylpropyl)1234tetrahydropyrimido(4545)thieno(23c)isoquinoline
8butoxy5isobutyl1234tetrahydropyrimido(4545)thieno(23c)isoquinoline
CCCCOC1=NC=NC2=C1SC3=NC(=C4CCCCC4=C23)CC(C)C
InChI=1SC21H27N3OSc1451025201918(22122320)1715976814(15)16(1113(2)3)2421(17)2619h1213H411H213H3
MFCD03284476
ZINC000001814959
ZINC01814959
ZINC1814959

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Available files

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