Vitas-M small molecule compound
3-(benzylammonio)-4-{[4-(diethylamino)phenyl]amino}-4-oxobutanoate
Catalog ID
STL048244
SMILES CCN(c1ccc(cc1)NC(=O)C(CC(=O)[O-])[NH2+]Cc1ccccc1)CC
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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 C21H27N3O3 MW 369.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O3/c1-3-24(4-2)18-12-10-17(11-13-18)23-21(27)19(14-20(25)26)22-15-16-8-6-5-7-9-16/h5-13,19,22H,3-4,14-15H2,1-2H3,(H,23,27)(H,25,26)InChIKey
HLAHMYNCFXAYOO-UHFFFAOYSA-NSynonyms
945492-32-03(BENZYLAMINO)4(4(DIETHYLAMINO)ANILINO)4OXOBUTANOICACID
3(benzylammonio)4((4(diethylamino)phenyl)amino)4oxobutanoate
3(BENZYLAZANIUMYL)4(4(DIETHYLAMINO)ANILINO)4OXOBUTANOATE
945492320
CCN(c1ccc(cc1)NC(=O)C(CC(=O)(O))(NH2+)Cc1ccccc1)CC
CCN(CC)C1=CC=C(C=C1)NC(=O)C(CC(=O)O)NCC2=CC=CC=C2
InChI=1SC21H27N3O3c1324(42)18121017(111318)2321(27)19(1420(25)26)2215168657916h5131922H341415H212H3(H2327)(H2526)
MFCD04174653
N2BENZYLN(4(DIETHYLAMINO)PHENYL)DALPHAASPARAGINE
ZINC000001823937
ZINC000001823938
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