Vitas-M small molecule compound
2-[(4-butylphenyl)amino]-2-oxoethyl isoquinoline-1-carboxylate
Catalog ID
STL187018
SMILES CCCCc1ccc(cc1)NC(=O)COC(=O)c1nccc2c1cccc2
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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 C22H22N2O3 MW 362.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O3/c1-2-3-6-16-9-11-18(12-10-16)24-20(25)15-27-22(26)21-19-8-5-4-7-17(19)13-14-23-21/h4-5,7-14H,2-3,6,15H2,1H3,(H,24,25)InChIKey
CMFYVVRYKQLQGV-UHFFFAOYSA-NSynonyms
(2(4butylanilino)2oxoethyl)isoquinoline1carboxylate
2((4butylphenyl)amino)2oxoethylisoquinoline1carboxylate
CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=NC=CC3=CC=CC=C32
InChI=1SC22H22N2O3c12361691118(121016)2420(25)152722(26)2119854717(19)13142321h45714H23615H21H3(H2425)
MFCD22388025
ZINC000072330305
ZINC72330305
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