Vitas-M small molecule compound

N-{[1-(tert-butoxycarbonyl)-4-phenylpiperidin-4-yl]carbonyl}-L-aspartic acid

Catalog ID
STK590842
SMILES O=C(C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1)N[C@H](C(=O)O)CC(=O)O

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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 C21H28N2O7 MW 420.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N2O7/c1-20(2,3)30-19(29)23-11-9-21(10-12-23,14-7-5-4-6-8-14)18(28)22-15(17(26)27)13-16(24)25/h4-8,15H,9-13H2,1-3H3,(H,22,28)(H,24,25)(H,26,27)/t15-/m0/s1
InChIKey
QYTAKFXYUCTVEQ-HNNXBMFYSA-N
Synonyms
1173683-99-2
(2S)2((1((2METHYLPROPAN2YL)OXYCARBONYL)4PHENYLPIPERIDINE4CARBONYL)AMINO)BUTANEDIOICACID
(S)2(1(tertbutoxycarbonyl)4phenylpiperidine4carboxamido)succinicacid
1173683992
CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)NC(CC(=O)O)C(=O)O
InChI=1SC21H28N2O7c120(23)3019(29)2311921(101223147546814)18(28)2215(17(26)27)1316(24)25h4815H913H213H3(H2228)(H2425)(H2627)t15m0s1
MFCD06605668
N((1(tertbutoxycarbonyl)4phenylpiperidin4yl)carbonyl)Lasparticacid
O=C(C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1)N(C@H)(C(=O)O)CC(=O)O
ZINC000005400311
ZINC5400311

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Available files

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