Vitas-M small molecule compound

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

Catalog ID
STK928817
SMILES OC(=O)C(c1c[nH]c2c1cc(cc2)NC(=O)C(C)C)N1CCN(CC1)c1cccc(c1C)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 C26H32N4O3 MW 448.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N4O3/c1-16(2)25(31)28-19-8-9-22-20(14-19)21(15-27-22)24(26(32)33)30-12-10-29(11-13-30)23-7-5-6-17(3)18(23)4/h5-9,14-16,24,27H,10-13H2,1-4H3,(H,28,31)(H,32,33)
InChIKey
JVTNAKXXBQQJHM-UHFFFAOYSA-N
Synonyms
1214691-62-9
(4(23dimethylphenyl)piperazin1yl)(5((2methylpropanoyl)amino)1Hindol3yl)aceticacid
1214691629
2(4(23dimethylphenyl)piperazin1yl)2(5(2methylpropanoylamino)1Hindol3yl)aceticacid
2(4(23dimethylphenyl)piperazin1yl)2(5isobutyramido1Hindol3yl)aceticacid
CC1=C(C(=CC=C1)N2CCN(CC2)C(C3=CNC4=C3C=C(C=C4)NC(=O)C(C)C)C(=O)O)C
InChI=1SC26H32N4O3c116(2)25(31)2819892220(1419)21(152722)24(26(32)33)30121029(111330)2375617(3)18(23)4h5914162427H1013H214H3(H2831)(H3233)
MFCD13756165
OC(=O)C(c1c(nH)c2c1cc(cc2)NC(=O)C(C)C)N1CCN(CC1)c1cccc(c1C)C
ZINC000036354184
ZINC000036354185

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Available files

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