Vitas-M small molecule compound

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

Catalog ID
STK650271
SMILES CN1CCN(CC1)C(=O)CN1CCN(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 C25H36N6O4 MW 484.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H36N6O4/c1-17(2)24(33)27-18-4-5-19-20(15-26-21(19)14-18)23(25(34)35)31-12-8-29(9-13-31)16-22(32)30-10-6-28(3)7-11-30/h4-5,14-15,17,23,26H,6-13,16H2,1-3H3,(H,27,33)(H,34,35)
InChIKey
KRRDAVFDTWAJSE-UHFFFAOYSA-N
Synonyms
1214819-06-3
(4(2(4methylpiperazin1yl)2oxoethyl)piperazin1yl)(6((2methylpropanoyl)amino)1Hindol3yl)aceticacid
1214819063
2(4(2(4methylpiperazin1yl)2oxoethyl)piperazin1yl)2(6(2methylpropanoylamino)1Hindol3yl)aceticacid
2(6isobutyramido1Hindol3yl)2(4(2(4methylpiperazin1yl)2oxoethyl)piperazin1yl)aceticacid
CC(C)C(=O)NC1=CC2=C(C=C1)C(=CN2)C(C(=O)O)N3CCN(CC3)CC(=O)N4CCN(CC4)C
CN1CCN(CC1)C(=O)CN1CCN(CC1)C(c1c(nH)c2c1ccc(c2)NC(=O)C(C)C)C(=O)O
InChI=1SC25H36N6O4c117(2)24(33)2718451920(152621(19)1418)23(25(34)35)3112829(91331)1622(32)3010628(3)71130h451415172326H61316H213H3(H2733)(H3435)
MFCD13758704
ZINC000036359362
ZINC000036359363

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Available files

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