Vitas-M small molecule compound
4-acetyl-1-(2-{acetyl[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]amino}ethyl)-1-methylpiperazin-1-ium
Catalog ID
STL565327
SMILES CC1=CC(C(C(C1)C)CN(C(=O)C)CC[N+]1(C)CCN(CC1)C(=O)C)C
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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 C21H38N3O2 MW 364.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H38N3O2/c1-16-13-17(2)21(18(3)14-16)15-23(20(5)26)9-12-24(6)10-7-22(8-11-24)19(4)25/h13,17-18,21H,7-12,14-15H2,1-6H3/q+1InChIKey
IQQCPPHPTMQNLR-UHFFFAOYSA-NSynonyms
4acetyl1(2(acetyl((246trimethylcyclohex3en1yl)methyl)amino)ethyl)1methylpiperazin1ium
4acetyl1methyl1(2(N((246trimethylcyclohex3en1yl)methyl)acetamido)ethyl)piperazin1iumiodide
5091101
CC1=CC(C(C(C1)C)CN(C(=O)C)CC(N+)1(C)CCN(CC1)C(=O)C)C(I)
InChI=1SC21H38N3O2c1161317(2)21(18(3)1416)1523(20(5)26)91224(6)10722(81124)19(4)25h13171821H7121415H216H3q+1
N(2(4acetyl1methylpiperazin1ium1yl)ethyl)N((246trimethylcyclohex3en1yl)methyl)acetamide
ZINC000106534495
ZINC000247643309
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