Vitas-M small molecule compound

3-(3-methoxyphenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine

Catalog ID
STK842564
SMILES COc1cccc(c1)c1nnc2n1cnc1c2c2CCCCc2s1

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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 C18H16N4OS MW 336.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4OS/c1-23-12-6-4-5-11(9-12)16-20-21-17-15-13-7-2-3-8-14(13)24-18(15)19-10-22(16)17/h4-6,9-10H,2-3,7-8H2,1H3
InChIKey
QCHWXMHKVKXOCH-UHFFFAOYSA-N
Synonyms
442570-97-0
3(3methoxyphenyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(43c)pyrimidine
3(3methoxyphenyl)891011tetrahydrobenzo(45)thieno(32e)(124)triazolo(43c)pyrimidine
442570970
COC1=CC=CC(=C1)C2=NN=C3N2C=NC4=C3C5=C(S4)CCCC5
InChI=1SC18H16N4OSc1231264511(912)162021171513723814(13)2418(15)191022(16)17h46910H2378H21H3
MFCD02967989
ZINC000000098575
ZINC00098575
ZINC98575

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Available files

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