Vitas-M small molecule compound

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

Catalog ID
STK931072
SMILES OC(=O)C(c1c[nH]c2c1ccc(c2)NC(=O)C(C)C)N1CCN(CC1)Cc1ccccc1

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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 C25H30N4O3 MW 434.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O3/c1-17(2)24(30)27-19-8-9-20-21(15-26-22(20)14-19)23(25(31)32)29-12-10-28(11-13-29)16-18-6-4-3-5-7-18/h3-9,14-15,17,23,26H,10-13,16H2,1-2H3,(H,27,30)(H,31,32)
InChIKey
IFCKELSMEIWCOS-UHFFFAOYSA-N
Synonyms
1214704-62-7
(4benzylpiperazin1yl)(6((2methylpropanoyl)amino)1Hindol3yl)aceticacid
1214704627
2(4benzylpiperazin1yl)2(6(2methylpropanoylamino)1Hindol3yl)aceticacid
2(4benzylpiperazin1yl)2(6isobutyramido1Hindol3yl)aceticacid
CC(C)C(=O)NC1=CC2=C(C=C1)C(=CN2)C(C(=O)O)N3CCN(CC3)CC4=CC=CC=C4
InChI=1SC25H30N4O3c117(2)24(30)2719892021(152622(20)1419)23(25(31)32)29121028(111329)16186435718h391415172326H101316H212H3(H2730)(H3132)
MFCD13755693
OC(=O)C(c1c(nH)c2c1ccc(c2)NC(=O)C(C)C)N1CCN(CC1)Cc1ccccc1
ZINC000036353192
ZINC000036353194

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Available files

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