Vitas-M small molecule compound

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

Catalog ID
STK462796
SMILES O=C(c1cc2c(s1)CCCC2)N1CCc2c(C1)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 C18H19NOS MW 297.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19NOS/c20-18(17-11-14-6-3-4-8-16(14)21-17)19-10-9-13-5-1-2-7-15(13)12-19/h1-2,5,7,11H,3-4,6,8-10,12H2
InChIKey
XBRFEKNFCCLOQG-UHFFFAOYSA-N
Synonyms

34dihydro1Hisoquinolin2yl(4567tetrahydro1benzothiophen2yl)methanone
34dihydroisoquinolin2(1H)yl(4567tetrahydro1benzothiophen2yl)methanone
C1CCC2=C(C1)C=C(S2)C(=O)N3CCC4=CC=CC=C4C3
InChI=1SC18H19NOSc2018(171114634816(14)2117)1910913512715(13)1219h125711H34681012H2
MFCD06004993
ZINC000001055630
ZINC01055630
ZINC1055630

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Available files

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