Vitas-M small molecule compound

(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)(1,3,5-trimethyl-1H-pyrazol-4-yl)methanone

Catalog ID
STK352995
SMILES Nc1sc2c(c1C(=O)c1c(C)nn(c1C)C)CCCC2

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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 C15H19N3OS MW 289.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H19N3OS/c1-8-12(9(2)18(3)17-8)14(19)13-10-6-4-5-7-11(10)20-15(13)16/h4-7,16H2,1-3H3
InChIKey
BRDLGQVHGJGVEJ-UHFFFAOYSA-N
Synonyms
1171405-33-6
(2amino4567tetrahydro1benzothiophen3yl)(135trimethyl1Hpyrazol4yl)methanone
(2amino4567tetrahydro1benzothiophen3yl)(135trimethylpyrazol4yl)methanone
1171405336
CC1=C(C(=NN1C)C)C(=O)C2=C(SC3=C2CCCC3)N
InChI=1SC15H19N3OSc1812(9(2)18(3)178)14(19)1310645711(10)2015(13)16h4716H213H3
MFCD09859279
ZINC000012398460
ZINC12398460

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Available files

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