Vitas-M small molecule compound
N~2~-{2-[(3-methylphenyl)amino]ethyl}-N-(4-phenoxyphenyl)asparagine
Catalog ID
STL229048
SMILES O=C(CC(C(=O)O)NCCNc1cccc(c1)C)Nc1ccc(cc1)Oc1ccccc1
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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 C25H27N3O4 MW 433.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O4/c1-18-6-5-7-20(16-18)26-14-15-27-23(25(30)31)17-24(29)28-19-10-12-22(13-11-19)32-21-8-3-2-4-9-21/h2-13,16,23,26-27H,14-15,17H2,1H3,(H,28,29)(H,30,31)InChIKey
RICIALPUYUTZTR-UHFFFAOYSA-NSynonyms
2(2(3METHYLANILINO)ETHYLAMINO)4OXO4(4PHENOXYANILINO)BUTANOICACID
CC1=CC(=CC=C1)NCCNC(CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)O
InChI=1SC25H27N3O4c11865720(1618)2614152723(25(30)31)1724(29)2819101222(131119)32218324921h21316232627H141517H21H3(H2829)(H3031)
MFCD06644377
N~2~(2((3methylphenyl)amino)ethyl)N(4phenoxyphenyl)asparagine
N2(2((3METHYLPHENYL)AMINO)ETHYL)N(4PHENOXYPHENYL)ASPARAGINE
ZINC000016740604
ZINC000016740605
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