Vitas-M small molecule compound

[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]{6-[(2-methylpropanoyl)amino]-1H-indol-3-yl}acetic acid

Catalog ID
STK943412
SMILES OC(=O)C(c1c[nH]c2c1ccc(c2)NC(=O)C(C)C)N1CCN(CC1)c1ncc(cn1)Br

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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 C22H25BrN6O3 MW 501.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25BrN6O3/c1-13(2)20(30)27-15-3-4-16-17(12-24-18(16)9-15)19(21(31)32)28-5-7-29(8-6-28)22-25-10-14(23)11-26-22/h3-4,9-13,19,24H,5-8H2,1-2H3,(H,27,30)(H,31,32)
InChIKey
HKSDDMVENVVCER-UHFFFAOYSA-N
Synonyms
1214192-96-7
(4(5bromopyrimidin2yl)piperazin1yl)(6((2methylpropanoyl)amino)1Hindol3yl)aceticacid
1214192967
2(4(5bromopyrimidin2yl)piperazin1yl)2(6(2methylpropanoylamino)1Hindol3yl)aceticacid
2(4(5bromopyrimidin2yl)piperazin1yl)2(6isobutyramido1Hindol3yl)aceticacid
CC(C)C(=O)NC1=CC2=C(C=C1)C(=CN2)C(C(=O)O)N3CCN(CC3)C4=NC=C(C=N4)Br
InChI=1SC22H25BrN6O3c113(2)20(30)2715341617(122418(16)915)19(21(31)32)285729(8628)22251014(23)112622h349131924H58H212H3(H2730)(H3132)
MFCD13757493
OC(=O)C(c1c(nH)c2c1ccc(c2)NC(=O)C(C)C)N1CCN(CC1)c1ncc(cn1)Br
ZINC000036357885
ZINC000036357886

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Available files

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