Vitas-M small molecule compound
1-{(1E)-2-cyano-3-[(4-methoxybenzyl)amino]-3-oxoprop-1-en-1-yl}piperidine-4-carboxylic acid
Catalog ID
STK715956
SMILES COc1ccc(cc1)CNC(=O)/C(=C/N1CCC(CC1)C(=O)O)/C#N
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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 C18H21N3O4 MW 343.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O4/c1-25-16-4-2-13(3-5-16)11-20-17(22)15(10-19)12-21-8-6-14(7-9-21)18(23)24/h2-5,12,14H,6-9,11H2,1H3,(H,20,22)(H,23,24)/b15-12+InChIKey
QNTRNYWPFBGWJY-NTCAYCPXSA-NSynonyms
885180-22-3(E)1(2cyano3((4methoxybenzyl)amino)3oxoprop1en1yl)piperidine4carboxylicacid
1((1E)2cyano3((4methoxybenzyl)amino)3oxoprop1en1yl)piperidine4carboxylicacid
1((E)2cyano3((4methoxyphenyl)methylamino)3oxoprop1enyl)piperidine4carboxylicacid
885180223
COC1=CC=C(C=C1)CNC(=O)C(=CN2CCC(CC2)C(=O)O)C#N
COc1ccc(cc1)CNC(=O)C(=CN1CCC(CC1)C(=O)O)C#N
InChI=1SC18H21N3O4c125164213(3516)112017(22)15(1019)12218614(7921)18(23)24h251214H6911H21H3(H2022)(H2324)b1512+
MFCD07642806
ZINC000030791180
ZINC30791180
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