Vitas-M small molecule compound

N-(3-chloro-4-methylphenyl)-N~2~-(2-methylpropyl)asparagine

Catalog ID
STL229645
SMILES CC(CNC(C(=O)O)CC(=O)Nc1ccc(c(c1)Cl)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 C15H21ClN2O3 MW 312.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H21ClN2O3/c1-9(2)8-17-13(15(20)21)7-14(19)18-11-5-4-10(3)12(16)6-11/h4-6,9,13,17H,7-8H2,1-3H3,(H,18,19)(H,20,21)
InChIKey
VFIHRHJFDFCXQL-UHFFFAOYSA-N
Synonyms

3(N(3CHLORO4METHYLPHENYL)CARBAMOYL)2((2METHYLPROPYL)AMINO)PROPANOICACID
4(3chloro4methylanilino)2(2methylpropylamino)4oxobutanoicacid
CC1=C(C=C(C=C1)NC(=O)CC(C(=O)O)NCC(C)C)Cl
InChI=1SC15H21ClN2O3c19(2)81713(15(20)21)714(19)18115410(3)12(16)611h4691317H78H213H3(H1819)(H2021)
MFCD05717108
N(3chloro4methylphenyl)N~2~(2methylpropyl)asparagine
N(3CHLORO4METHYLPHENYL)N2(2METHYLPROPYL)ASPARAGINE
ZINC000004280146
ZINC000004280147

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Available files

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