Vitas-M small molecule compound

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

Catalog ID
STK655157
SMILES OC(=O)C(c1c[nH]c2c1ccc(c2)NC(=O)C(C)C)N1CCN(CC1)c1ccc(cc1)C(=O)C

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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 C26H30N4O4 MW 462.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N4O4/c1-16(2)25(32)28-19-6-9-21-22(15-27-23(21)14-19)24(26(33)34)30-12-10-29(11-13-30)20-7-4-18(5-8-20)17(3)31/h4-9,14-16,24,27H,10-13H2,1-3H3,(H,28,32)(H,33,34)
InChIKey
PGZUTGWTCAGCGN-UHFFFAOYSA-N
Synonyms
1214846-54-4
(4(4acetylphenyl)piperazin1yl)(6((2methylpropanoyl)amino)1Hindol3yl)aceticacid
1214846544
2(4(4acetylphenyl)piperazin1yl)2(6(2methylpropanoylamino)1Hindol3yl)aceticacid
2(4(4acetylphenyl)piperazin1yl)2(6isobutyramido1Hindol3yl)aceticacid
CC(C)C(=O)NC1=CC2=C(C=C1)C(=CN2)C(C(=O)O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C
InChI=1SC26H30N4O4c116(2)25(32)2819692122(152723(21)1419)24(26(33)34)30121029(111330)207418(5820)17(3)31h4914162427H1013H213H3(H2832)(H3334)
MFCD13757272
OC(=O)C(c1c(nH)c2c1ccc(c2)NC(=O)C(C)C)N1CCN(CC1)c1ccc(cc1)C(=O)C
ZINC000036357622
ZINC000036357623

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Available files

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