Vitas-M small molecule compound

N-hexyl-2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine

Catalog ID
STK721271
SMILES CCCCCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)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 C21H28N4OS MW 384.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4OS/c1-5-6-7-8-9-22-19-18-17(23-12-24-19)16-14-10-21(3,4)26-11-15(14)13(2)25-20(16)27-18/h12H,5-11H2,1-4H3,(H,22,23,24)
InChIKey
RGACTRBJMNKDCM-UHFFFAOYSA-N
Synonyms

CCCCCCNC1=NC=NC2=C1SC3=NC(=C4COC(CC4=C23)(C)C)C
InChI=1SC21H28N4OSc15678922191817(23122419)16141021(34)261115(14)13(2)2520(16)2718h12H511H214H3(H222324)
MFCD02235553
Nhexyl225trimethyl14dihydro2Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8amine
Nhexyl225trimethyl24dihydro1Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8amine
ZINC000002293976
ZINC02293976
ZINC2293976

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Available files

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