Vitas-M small molecule compound

2-[benzyl(4-butyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)amino]ethanol

Catalog ID
STL146205
SMILES OCCN(c1ncnc2c1sc1c2c2CCCc2c(n1)CCCC)Cc1ccccc1

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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 C25H28N4OS MW 432.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4OS/c1-2-3-12-20-18-10-7-11-19(18)21-22-23(31-25(21)28-20)24(27-16-26-22)29(13-14-30)15-17-8-5-4-6-9-17/h4-6,8-9,16,30H,2-3,7,10-15H2,1H3
InChIKey
WCZAKZWFMMSNIS-UHFFFAOYSA-N
Synonyms
845669-03-6
2(benzyl(4butyl23dihydro1Hcyclopenta(45)pyrido(3245)thieno(32d)pyrimidin7yl)amino)ethanol
845669036
CCCCC1=C2CCCC2=C3C4=C(C(=NC=N4)N(CCO)CC5=CC=CC=C5)SC3=N1
InChI=1SC25H28N4OSc1231220181071119(18)212223(3125(21)2820)24(27162622)29(131430)15178546917h46891630H2371015H21H3
MFCD04169404
ZINC000002417012
ZINC02417012
ZINC2417012

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Available files

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