Vitas-M small molecule compound

methyl N-({4-[4-(1H-indol-3-yl)butanoyl]piperazin-1-yl}carbonyl)-L-alaninate

Catalog ID
STK716642
SMILES COC(=O)[C@@H](NC(=O)N1CCN(CC1)C(=O)CCCc1c[nH]c2c1cccc2)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 C21H28N4O4 MW 400.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O4/c1-15(20(27)29-2)23-21(28)25-12-10-24(11-13-25)19(26)9-5-6-16-14-22-18-8-4-3-7-17(16)18/h3-4,7-8,14-15,22H,5-6,9-13H2,1-2H3,(H,23,28)/t15-/m0/s1
InChIKey
KQAXIJWFVCDVCF-HNNXBMFYSA-N
Synonyms
1013752-56-1
(S)methyl2(4(4(1Hindol3yl)butanoyl)piperazine1carboxamido)propanoate
1013752561
CC(C(=O)OC)NC(=O)N1CCN(CC1)C(=O)CCCC2=CNC3=CC=CC=C32
COC(=O)(C@@H)(NC(=O)N1CCN(CC1)C(=O)CCCc1c(nH)c2c1cccc2)C
InChI=1SC21H28N4O4c115(20(27)292)2321(28)25121024(111325)19(26)95616142218843717(16)18h3478141522H56913H212H3(H2328)t15m0s1
methyl(2S)2((4(4(1Hindol3yl)butanoyl)piperazine1carbonyl)amino)propanoate
methylN((4(4(1Hindol3yl)butanoyl)piperazin1yl)carbonyl)Lalaninate
MFCD09848719
ZINC000009048004
ZINC09048004
ZINC9048004

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Available files

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