Vitas-M small molecule compound
[4-(pyrimidin-2-yl)piperazin-1-yl](5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
Catalog ID
STK463737
SMILES O=C(c1cc2c(s1)CCCCC2)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 C18H22N4OS MW 342.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4OS/c23-17(16-13-14-5-2-1-3-6-15(14)24-16)21-9-11-22(12-10-21)18-19-7-4-8-20-18/h4,7-8,13H,1-3,5-6,9-12H2InChIKey
BNQMBNZKOLHGNG-UHFFFAOYSA-NSynonyms
(4(pyrimidin2yl)piperazin1yl)(5678tetrahydro4Hcyclohepta(b)thiophen2yl)methanone
(4pyrimidin2ylpiperazin1yl)(5678tetrahydro4Hcyclohepta(b)thiophen2yl)methanone
C1CCC2=C(CC1)SC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4
InChI=1SC18H22N4OSc2317(1613145213615(14)2416)2191122(121021)18197482018h47813H1356912H2
MFCD06004033
ZINC000001052357
ZINC01052357
ZINC1052357
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