Vitas-M small molecule compound

{6-[(2-methylpropanoyl)amino]-1H-indol-3-yl}[4-(pyrimidin-2-yl)piperazin-1-yl]acetic acid

Catalog ID
STK938816
SMILES OC(=O)C(c1c[nH]c2c1ccc(c2)NC(=O)C(C)C)N1CCN(CC1)c1ncccn1

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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 C22H26N6O3 MW 422.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N6O3/c1-14(2)20(29)26-15-4-5-16-17(13-25-18(16)12-15)19(21(30)31)27-8-10-28(11-9-27)22-23-6-3-7-24-22/h3-7,12-14,19,25H,8-11H2,1-2H3,(H,26,29)(H,30,31)
InChIKey
PXEZAMQOWKQSHT-UHFFFAOYSA-N
Synonyms
1214821-65-4
(6((2methylpropanoyl)amino)1Hindol3yl)(4(pyrimidin2yl)piperazin1yl)aceticacid
1214821654
2(6(2methylpropanoylamino)1Hindol3yl)2(4pyrimidin2ylpiperazin1yl)aceticacid
2(6isobutyramido1Hindol3yl)2(4(pyrimidin2yl)piperazin1yl)aceticacid
CC(C)C(=O)NC1=CC2=C(C=C1)C(=CN2)C(C(=O)O)N3CCN(CC3)C4=NC=CC=N4
InChI=1SC22H26N6O3c114(2)20(29)2615451617(132518(16)1215)19(21(30)31)2781028(11927)22236372422h3712141925H811H212H3(H2629)(H3031)
MFCD13760991
OC(=O)C(c1c(nH)c2c1ccc(c2)NC(=O)C(C)C)N1CCN(CC1)c1ncccn1
ZINC000036366758
ZINC000036366760

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Available files

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