Vitas-M small molecule compound

methyl 3-({[4-(pyridin-2-yl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate

Catalog ID
STK554635
SMILES COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1ccccn1)cccc2

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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 C21H23N5O3 MW 393.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O3/c1-29-21(28)20-19(15-6-2-3-7-16(15)23-20)24-18(27)14-25-10-12-26(13-11-25)17-8-4-5-9-22-17/h2-9,23H,10-14H2,1H3,(H,24,27)
InChIKey
RALVAVVJIMOUQL-UHFFFAOYSA-N
Synonyms
840477-08-9
840477089
COC(=O)c1(nH)c2c(c1NC(=O)CN1CCN(CC1)c1ccccn1)cccc2
COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CN3CCN(CC3)C4=CC=CC=N4
InChI=1SC21H23N5O3c12921(28)2019(15623716(15)2320)2418(27)1425101226(131125)1784592217h2923H1014H21H3(H2427)
methyl3(((4(pyridin2yl)piperazin1yl)acetyl)amino)1Hindole2carboxylate
METHYL3(((4PYRIDIN2YLPIPERAZIN1YL)ACETYL)AMINO)1HINDOLE2CARBOXYLATE
METHYL3((2(4PYRIDIN2YLPIPERAZIN1YL)ACETYL)AMINO)1HINDOLE2CARBOXYLATE
methyl3(2(4(pyridin2yl)piperazin1yl)acetamido)1Hindole2carboxylate
MFCD04006047
ZINC000013751194
ZINC13751194

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Available files

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