Vitas-M small molecule compound

[4-(pyridin-2-yl)piperazin-1-yl](5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone

Catalog ID
STK488652
SMILES O=C(c1cc2c(s1)CCCCC2)N1CCN(CC1)c1ccccn1

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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 C19H23N3OS MW 341.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N3OS/c23-19(17-14-15-6-2-1-3-7-16(15)24-17)22-12-10-21(11-13-22)18-8-4-5-9-20-18/h4-5,8-9,14H,1-3,6-7,10-13H2
InChIKey
JNQHZXQRYAYYTH-UHFFFAOYSA-N
Synonyms
878267-79-9
(4(pyridin2yl)piperazin1yl)(5678tetrahydro4Hcyclohepta(b)thiophen2yl)methanone
(4pyridin2ylpiperazin1yl)(5678tetrahydro4Hcyclohepta(b)thiophen2yl)methanone
878267799
C1CCC2=C(CC1)SC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4
InChI=1SC19H23N3OSc2319(1714156213716(15)2417)22121021(111322)1884592018h458914H13671013H2
MFCD07835568
ZINC000008075642
ZINC8075642

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Available files

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