Vitas-M small molecule compound

4-butyl-7-(hexylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

Catalog ID
STK721517
SMILES CCCCCCSc1ncnc2c1sc1c2c2CCCc2c(n1)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 C22H29N3S2 MW 399.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3S2/c1-3-5-7-8-13-26-22-20-19(23-14-24-22)18-16-11-9-10-15(16)17(12-6-4-2)25-21(18)27-20/h14H,3-13H2,1-2H3
InChIKey
ACAGFNPEVRVJRU-UHFFFAOYSA-N
Synonyms
488795-38-6
488795386
4butyl7(hexylsulfanyl)23dihydro1Hcyclopenta(45)pyrido(3245)thieno(32d)pyrimidine
4butyl7(hexylthio)23dihydro1Hcyclopenta(45)pyrido(3245)thieno(32d)pyrimidine
CCCCCCSC1=NC=NC2=C1SC3=NC(=C4CCCC4=C23)CCCC
InChI=1SC22H29N3S2c135781326222019(23142422)18161191015(16)17(12642)2521(18)2720h14H313H212H3
MFCD03292766
ZINC000002342218
ZINC02342218
ZINC2342218

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Available files

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