Vitas-M small molecule compound
2-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Catalog ID
STL316334
SMILES COc1ccccc1N1CCN(CC1)Cn1nc2CCCCCc2cc1=O
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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 C21H28N4O2 MW 368.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O2/c1-27-20-10-6-5-9-19(20)24-13-11-23(12-14-24)16-25-21(26)15-17-7-3-2-4-8-18(17)22-25/h5-6,9-10,15H,2-4,7-8,11-14,16H2,1H3InChIKey
PSJASXZLKISQMG-UHFFFAOYSA-NSynonyms
1401592-43-51401592435
2((4(2methoxyphenyl)piperazin1yl)methyl)256789hexahydro3Hcyclohepta(c)pyridazin3one
2((4(2methoxyphenyl)piperazin1yl)methyl)6789tetrahydro2Hcyclohepta(c)pyridazin3(5H)one
2((4(2methoxyphenyl)piperazin1yl)methyl)6789tetrahydro5Hcyclohepta(c)pyridazin3one
COC1=CC=CC=C1N2CCN(CC2)CN3C(=O)C=C4CCCCCC4=N3
InChI=1SC21H28N4O2c127201065919(20)24131123(121424)162521(26)15177324818(17)2225h5691015H2478111416H21H3
MFCD22582014
ZINC000079474437
ZINC79474437
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