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Vitas-M small molecule compound

tert-butyl (3S)-3-{[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]carbamoyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate

Catalog ID
STK584303
SMILES CC([C@@H](C(=O)NC1CCCC1)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 C25H37N3O4 MW 443.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H37N3O4/c1-16(2)21(23(30)26-19-12-8-9-13-19)27-22(29)20-14-17-10-6-7-11-18(17)15-28(20)24(31)32-25(3,4)5/h6-7,10-11,16,19-21H,8-9,12-15H2,1-5H3,(H,26,30)(H,27,29)/t20-,21-/m0/s1
InChIKey
IYRSIBHLZFSZBG-SFTDATJTSA-N
Synonyms
1014001-16-1
(3S)3((((2S)1(CYCLOPENTYLAMINO)3METHYL1OXOBUTAN2YL)AMINO)OXOMETHYL)34DIHYDRO1HISOQUINOLINE2CARBOXYLICACIDTERTBUTYLESTER
(3S)3(((1S)1(CYCLOPENTYLCARBAMOYL)2METHYLPROPYL)CARBAMOYL)34DIHYDRO1HISOQUINOLINE2CARBOXYLICACIDTERTBUTYLESTER
(S)tertbutyl3(((S)1(cyclopentylamino)3methyl1oxobutan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
1014001161
CC((C@@H)(C(=O)NC1CCCC1)NC(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C)C
CC(C)C(C(=O)NC1CCCC1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C
InChI=1SC25H37N3O4c116(2)21(23(30)261912891319)2722(29)20141710671118(17)1528(20)24(31)3225(34)5h671011161921H891215H215H3(H2630)(H2729)t2021m0s1
MFCD06773919
TERTBUTYL(3S)3(((2S)1(CYCLOPENTYLAMINO)3METHYL1OXIDANYLIDENEBUTAN2YL)CARBAMOYL)34DIHYDRO1HISOQUINOLINE2CARBOXYLATE
TERTBUTYL(3S)3(((2S)1(CYCLOPENTYLAMINO)3METHYL1OXOBUTAN2YL)CARBAMOYL)34DIHYDRO1HISOQUINOLINE2CARBOXYLATE
tertbutyl(3S)3(((2S)1(cyclopentylamino)3methyl1oxobutan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
ZINC000009450208
ZINC09450208
ZINC9450208

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Available files

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