Vitas-M small molecule compound

methyl 3-[(1-tert-butyl-3,4-dimethyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)amino]-3-(2-ethylphenyl)propanoate

Catalog ID
STK080612
SMILES COC(=O)CC(c1ccccc1CC)NC1C(=C(C(=O)N1C(C)(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 C22H32N2O3 MW 372.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H32N2O3/c1-8-16-11-9-10-12-17(16)18(13-19(25)27-7)23-20-14(2)15(3)21(26)24(20)22(4,5)6/h9-12,18,20,23H,8,13H2,1-7H3
InChIKey
BPEQGMXSCPTRIG-UHFFFAOYSA-N
Synonyms

CCC1=CC=CC=C1C(CC(=O)OC)NC2C(=C(C(=O)N2C(C)(C)C)C)C
COC(=O)CC(c1ccccc1CC)NC1C(=C(C(=O)N1C(C)(C)C)C)C
InChI=1SC22H32N2O3c1816119101217(16)18(1319(25)277)232014(2)15(3)21(26)24(20)22(45)6h912182023H813H217H3
METHYL3((1TERTBUTYL34DIMETHYL5OXO25DIHYDRO1HPYRROL2YL)AMINO)3(2ETHYLPHENYL)PROPANOATE
methyl3((1tertbutyl34dimethyl5oxo2Hpyrrol2yl)amino)3(2ethylphenyl)propanoate
MFCD09960077
STK080612
ZINC000013893023
ZINC000013893031

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.