Vitas-M small molecule compound
tert-butyl (3S)-3-({(2S)-1-[(2,4-dimethylphenyl)amino]-3-methyl-1-oxobutan-2-yl}carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK577332
SMILES Cc1ccc(c(c1)C)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 C28H37N3O4 MW 479.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37N3O4/c1-17(2)24(26(33)29-22-13-12-18(3)14-19(22)4)30-25(32)23-15-20-10-8-9-11-21(20)16-31(23)27(34)35-28(5,6)7/h8-14,17,23-24H,15-16H2,1-7H3,(H,29,33)(H,30,32)/t23-,24-/m0/s1InChIKey
NZMKWCLPUQXFJR-ZEQRLZLVSA-NSynonyms
1014022-04-8(S)tertbutyl3(((S)1((24dimethylphenyl)amino)3methyl1oxobutan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
1014022048
CC1=CC(=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C)C
Cc1ccc(c(c1)C)NC(=O)(C@H)(C(C)C)NC(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C
InChI=1SC28H37N3O4c117(2)24(26(33)2922131218(3)1419(22)4)3025(32)23152010891121(20)1631(23)27(34)3528(56)7h814172324H1516H217H3(H2933)(H3032)t2324m0s1
MFCD07640388
tertbutyl(3S)3(((2S)1((24dimethylphenyl)amino)3methyl1oxobutan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
tertbutyl(3S)3(((2S)1(24dimethylanilino)3methyl1oxobutan2yl)carbamoyl)34dihydro1Hisoquinoline2carboxylate
ZINC000009129543
ZINC09129543
ZINC9129543
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.