Vitas-M small molecule compound
tert-butyl (3S)-3-({(2S)-1-[(4-methylphenyl)amino]-1-oxopropan-2-yl}carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK576104
SMILES Cc1ccc(cc1)NC(=O)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(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 C25H31N3O4 MW 437.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O4/c1-16-10-12-20(13-11-16)27-22(29)17(2)26-23(30)21-14-18-8-6-7-9-19(18)15-28(21)24(31)32-25(3,4)5/h6-13,17,21H,14-15H2,1-5H3,(H,26,30)(H,27,29)/t17-,21-/m0/s1InChIKey
YTMHDBHVHWZHEI-UWJYYQICSA-NSynonyms
1014002-06-2(S)tertbutyl3(((R)1oxo1(ptolylamino)propan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
1014002062
CC1=CC=C(C=C1)NC(=O)C(C)NC(=O)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C
Cc1ccc(cc1)NC(=O)(C@@H)(NC(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C)C
Cc1ccc(cc1)NC(=O)(C@H)(NC(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C)C
InChI=1SC25H31N3O4c116101220(131116)2722(29)17(2)2623(30)211418867919(18)1528(21)24(31)3225(34)5h6131721H1415H215H3(H2630)(H2729)t1721m0s1
MFCD06782146
tertbutyl(3S)3(((2S)1((4methylphenyl)amino)1oxopropan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
tertbutyl(3S)3(((2S)1(4methylanilino)1oxopropan2yl)carbamoyl)34dihydro1Hisoquinoline2carboxylate
ZINC000009186969
ZINC09186969
ZINC9186969
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.