Vitas-M small molecule compound
tert-butyl (3S)-3-({(2S)-3-methyl-1-[(4-methylphenyl)amino]-1-oxobutan-2-yl}carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK594270
SMILES Cc1ccc(cc1)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(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 C27H35N3O4 MW 465.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N3O4/c1-17(2)23(25(32)28-21-13-11-18(3)12-14-21)29-24(31)22-15-19-9-7-8-10-20(19)16-30(22)26(33)34-27(4,5)6/h7-14,17,22-23H,15-16H2,1-6H3,(H,28,32)(H,29,31)/t22-,23-/m0/s1InChIKey
GYGIGKCLXKYUKL-GOTSBHOMSA-NSynonyms
1014003-72-5(S)tertbutyl3(((S)3methyl1oxo1(ptolylamino)butan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
1014003725
CC1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C
Cc1ccc(cc1)NC(=O)(C@H)(C(C)C)NC(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C
InChI=1SC27H35N3O4c117(2)23(25(32)2821131118(3)121421)2924(31)2215199781020(19)1630(22)26(33)3427(45)6h714172223H1516H216H3(H2832)(H2931)t2223m0s1
MFCD07639611
tertbutyl(3S)3(((2S)3methyl1((4methylphenyl)amino)1oxobutan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
tertbutyl(3S)3(((2S)3methyl1(4methylanilino)1oxobutan2yl)carbamoyl)34dihydro1Hisoquinoline2carboxylate
ZINC000009129067
ZINC09129067
ZINC9129067
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.