Vitas-M small molecule compound

N-{[1-(tert-butoxycarbonyl)-4-phenylpiperidin-4-yl]carbonyl}-D-alanine

Catalog ID
STK591751
SMILES C[C@H](C(=O)O)NC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1

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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 C20H28N2O5 MW 376.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N2O5/c1-14(16(23)24)21-17(25)20(15-8-6-5-7-9-15)10-12-22(13-11-20)18(26)27-19(2,3)4/h5-9,14H,10-13H2,1-4H3,(H,21,25)(H,23,24)/t14-/m1/s1
InChIKey
IOZCMLNKCHMITF-CQSZACIVSA-N
Synonyms
1173673-71-6
(2R)2((1((2METHYLPROPAN2YL)OXYCARBONYL)4PHENYLPIPERIDINE4CARBONYL)AMINO)PROPANOICACID
(S)2(1(tertbutoxycarbonyl)4phenylpiperidine4carboxamido)propanoicacid
1173673716
C(C@@H)(C(=O)O)NC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1
C(C@H)(C(=O)O)NC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1
CC(C(=O)O)NC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C2=CC=CC=C2
InChI=1SC20H28N2O5c114(16(23)24)2117(25)20(158657915)101222(131120)18(26)2719(23)4h5914H1013H214H3(H2125)(H2324)t14m1s1
MFCD07638307
N((1(tertbutoxycarbonyl)4phenylpiperidin4yl)carbonyl)Dalanine
ZINC000005354430
ZINC5354430

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Available files

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