Vitas-M small molecule compound
2-{[4-(2,3,4-trimethoxybenzyl)piperazin-1-yl]methyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Catalog ID
STL319109
SMILES COc1c(OC)ccc(c1OC)CN1CCN(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 C24H34N4O4 MW 442.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H34N4O4/c1-30-21-10-9-19(23(31-2)24(21)32-3)16-26-11-13-27(14-12-26)17-28-22(29)15-18-7-5-4-6-8-20(18)25-28/h9-10,15H,4-8,11-14,16-17H2,1-3H3InChIKey
QSGDAUIEGVASNT-UHFFFAOYSA-NSynonyms
1401602-73-01401602730
2((4((234trimethoxyphenyl)methyl)piperazin1yl)methyl)6789tetrahydro5Hcyclohepta(c)pyridazin3one
2((4(234trimethoxybenzyl)piperazin1yl)methyl)256789hexahydro3Hcyclohepta(c)pyridazin3one
2((4(234trimethoxybenzyl)piperazin1yl)methyl)6789tetrahydro2Hcyclohepta(c)pyridazin3(5H)one
COC1=C(C(=C(C=C1)CN2CCN(CC2)CN3C(=O)C=C4CCCCCC4=N3)OC)OC
InChI=1SC24H34N4O4c1302110919(23(312)24(21)323)1626111327(141226)172822(29)15187546820(18)2528h91015H4811141617H213H3
MFCD22583235
ZINC000079481261
ZINC79481261
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