Vitas-M small molecule compound

4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl[4-(pyrimidin-2-yl)piperazin-1-yl]methanone

Catalog ID
STK490318
SMILES O=C(c1sc2c(c1)CCCCCC2)N1CCN(CC1)c1ncccn1

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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 C19H24N4OS MW 356.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H24N4OS/c24-18(17-14-15-6-3-1-2-4-7-16(15)25-17)22-10-12-23(13-11-22)19-20-8-5-9-21-19/h5,8-9,14H,1-4,6-7,10-13H2
InChIKey
FAZVGQLAQUABHX-UHFFFAOYSA-N
Synonyms

456789hexahydrocycloocta(b)thiophen2yl(4(pyrimidin2yl)piperazin1yl)methanone
456789hexahydrocycloocta(b)thiophen2yl(4pyrimidin2ylpiperazin1yl)methanone
C1CCCC2=C(CC1)C=C(S2)C(=O)N3CCN(CC3)C4=NC=CC=N4
InChI=1SC19H24N4OSc2418(17141563124716(15)2517)22101223(131122)19208592119h58914H14671013H2
MFCD08487573
ZINC000012796450
ZINC12796450

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Available files

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