Vitas-M small molecule compound

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

Catalog ID
STK618564
SMILES COC(=O)CCNC(=O)N1CCN(CC1)C(=O)c1c[nH]c2c1cccc2

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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 C18H22N4O4 MW 358.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O4/c1-26-16(23)6-7-19-18(25)22-10-8-21(9-11-22)17(24)14-12-20-15-5-3-2-4-13(14)15/h2-5,12,20H,6-11H2,1H3,(H,19,25)
InChIKey
NZDIZQSCKYTHHX-UHFFFAOYSA-N
Synonyms
929870-07-5
929870075
COC(=O)CCNC(=O)N1CCN(CC1)C(=O)c1c(nH)c2c1cccc2
COC(=O)CCNC(=O)N1CCN(CC1)C(=O)C2=CNC3=CC=CC=C32
InChI=1SC18H22N4O4c12616(23)671918(25)2210821(91122)17(24)14122015532413(14)15h251220H611H21H3(H1925)
methyl3((4(1Hindole3carbonyl)piperazine1carbonyl)amino)propanoate
methyl3(4(1Hindole3carbonyl)piperazine1carboxamido)propanoate
methylN((4(1Hindol3ylcarbonyl)piperazin1yl)carbonyl)betaalaninate
MFCD09846433
ZINC000009575673
ZINC09575673
ZINC9575673

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Available files

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