Vitas-M small molecule compound
2-{[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]methyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Catalog ID
STL311601
SMILES O=c1cc2CCCCCc2nn1CN1CCN(CC1)C1CCS(=O)(=O)C1
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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 C18H28N4O3S MW 380.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H28N4O3S/c23-18-12-15-4-2-1-3-5-17(15)19-22(18)14-20-7-9-21(10-8-20)16-6-11-26(24,25)13-16/h12,16H,1-11,13-14H2InChIKey
WFLVSRUSXDTIFM-UHFFFAOYSA-NSynonyms
1401601-92-01401601920
2((4(11dioxidotetrahydrothiophen3yl)piperazin1yl)methyl)256789hexahydro3Hcyclohepta(c)pyridazin3one
2((4(11dioxidotetrahydrothiophen3yl)piperazin1yl)methyl)6789tetrahydro2Hcyclohepta(c)pyridazin3(5H)one
2((4(11dioxothiolan3yl)piperazin1yl)methyl)6789tetrahydro5Hcyclohepta(c)pyridazin3one
C1CCC2=CC(=O)N(N=C2CC1)CN3CCN(CC3)C4CCS(=O)(=O)C4
InChI=1SC18H28N4O3Sc231812154213517(15)1922(18)14207921(10820)1661126(2425)1316h1216H1111314H2
MFCD22585935
ZINC000079495386
ZINC000079495388
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