Vitas-M small molecule compound
3-(6-methoxy[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propan-1-one
Catalog ID
STL411546
SMILES COc1ccc2n(n1)c(CCC(=O)N1CCN(CC1)C/C=C/c1ccccc1)nn2
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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 C22H26N6O2 MW 406.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N6O2/c1-30-21-11-9-19-23-24-20(28(19)25-21)10-12-22(29)27-16-14-26(15-17-27)13-5-8-18-6-3-2-4-7-18/h2-9,11H,10,12-17H2,1H3/b8-5+InChIKey
DPPYSDPFPQLZAP-VMPITWQZSA-NSynonyms
1574537-17-9(E)1(4cinnamylpiperazin1yl)3(6methoxy(124)triazolo(43b)pyridazin3yl)propan1one
1574537179
3(6methoxy(124)triazolo(43b)pyridazin3yl)1(4((2E)3phenylprop2en1yl)piperazin1yl)propan1one
3(6methoxy(124)triazolo(43b)pyridazin3yl)1(4((E)3phenylprop2enyl)piperazin1yl)propan1one
COC1=NN2C(=NN=C2CCC(=O)N3CCN(CC3)CC=CC4=CC=CC=C4)C=C1
COc1ccc2n(n1)c(CCC(=O)N1CCN(CC1)CC=Cc1ccccc1)nn2
InChI=1SC22H26N6O2c1302111919232420(28(19)2521)101222(29)27161426(151727)1358186324718h2911H101217H21H3b85+
MFCD28059361
ZINC000096232464
ZINC96232464
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