Vitas-M small molecule compound

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

Catalog ID
STK660876
SMILES OC(=O)C(c1c[nH]c2c1cc(cc2)NC(=O)C(C)C)N1CCN(CC1)c1ccc(cc1C)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)28-19-6-7-22-20(14-19)21(15-27-22)24(26(32)33)30-11-9-29(10-12-30)23-8-5-17(3)13-18(23)4/h5-8,13-16,24,27H,9-12H2,1-4H3,(H,28,31)(H,32,33)
InChIKey
LNUNAQATECPUTG-UHFFFAOYSA-N
Synonyms
1214119-09-1
(4(24dimethylphenyl)piperazin1yl)(5((2methylpropanoyl)amino)1Hindol3yl)aceticacid
1214119091
2(4(24dimethylphenyl)piperazin1yl)2(5(2methylpropanoylamino)1Hindol3yl)aceticacid
2(4(24dimethylphenyl)piperazin1yl)2(5isobutyramido1Hindol3yl)aceticacid
CC1=CC(=C(C=C1)N2CCN(CC2)C(C3=CNC4=C3C=C(C=C4)NC(=O)C(C)C)C(=O)O)C
InChI=1SC26H32N4O3c116(2)25(31)2819672220(1419)21(152722)24(26(32)33)3011929(101230)238517(3)1318(23)4h5813162427H912H214H3(H2831)(H3233)
MFCD13760562
OC(=O)C(c1c(nH)c2c1cc(cc2)NC(=O)C(C)C)N1CCN(CC1)c1ccc(cc1C)C
ZINC000036365828
ZINC000036365830

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Available files

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