Vitas-M small molecule compound

2-[(naphthalen-1-yloxy)methyl]-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

Catalog ID
STK860250
SMILES C1CCc2c(CC1)c1c(s2)ncn2c1nc(n2)COc1cccc2c1cccc2

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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 C23H20N4OS MW 400.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4OS/c1-2-10-17-19(12-3-1)29-23-21(17)22-25-20(26-27(22)14-24-23)13-28-18-11-6-8-15-7-4-5-9-16(15)18/h4-9,11,14H,1-3,10,12-13H2
InChIKey
IHPOCHPLIMIFDH-UHFFFAOYSA-N
Synonyms

2((naphthalen1yloxy)methyl)9101112tetrahydro8Hcyclohepta(45)thieno(32e)(124)triazolo(15c)pyrimidine
C1CCC2=C(CC1)SC3=C2C4=NC(=NN4C=N3)COC5=CC=CC6=CC=CC=C65
InChI=1SC23H20N4OSc12101719(1231)292321(17)222520(2627(22)142423)132818116815745916(15)18h491114H13101213H2
MFCD02236752
ZINC000001000372
ZINC01000372
ZINC1000372

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Available files

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