Vitas-M small molecule compound

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

Catalog ID
STK656096
SMILES N#CCCN1CCN(CC1)C(c1c[nH]c2c1ccc(c2)NC(=O)C(C)C)C(=O)O

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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 C21H27N5O3 MW 397.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O3/c1-14(2)20(27)24-15-4-5-16-17(13-23-18(16)12-15)19(21(28)29)26-10-8-25(9-11-26)7-3-6-22/h4-5,12-14,19,23H,3,7-11H2,1-2H3,(H,24,27)(H,28,29)
InChIKey
DCPBLKMFDCRACX-UHFFFAOYSA-N
Synonyms
1214083-81-4
(4(2cyanoethyl)piperazin1yl)(6((2methylpropanoyl)amino)1Hindol3yl)aceticacid
1214083814
2(4(2cyanoethyl)piperazin1yl)2(6(2methylpropanoylamino)1Hindol3yl)aceticacid
2(4(2cyanoethyl)piperazin1yl)2(6isobutyramido1Hindol3yl)aceticacid
CC(C)C(=O)NC1=CC2=C(C=C1)C(=CN2)C(C(=O)O)N3CCN(CC3)CCC#N
InChI=1SC21H27N5O3c114(2)20(27)2415451617(132318(16)1215)19(21(28)29)2610825(91126)73622h4512141923H3711H212H3(H2427)(H2829)
MFCD13760539
N#CCCN1CCN(CC1)C(c1c(nH)c2c1ccc(c2)NC(=O)C(C)C)C(=O)O
ZINC000036365787
ZINC000036365788

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Available files

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