Vitas-M small molecule compound

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

Catalog ID
STK653394
SMILES OC(=O)C(c1c[nH]c2c1ccc(c2)NC(=O)c1ccccc1)N1CCN(CC1)CC(=O)N(C)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 C25H29N5O4 MW 463.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5O4/c1-28(2)22(31)16-29-10-12-30(13-11-29)23(25(33)34)20-15-26-21-14-18(8-9-19(20)21)27-24(32)17-6-4-3-5-7-17/h3-9,14-15,23,26H,10-13,16H2,1-2H3,(H,27,32)(H,33,34)
InChIKey
ANVNYZMALCNECK-UHFFFAOYSA-N
Synonyms
1214864-30-8
(4(2(dimethylamino)2oxoethyl)piperazin1yl)(6((phenylcarbonyl)amino)1Hindol3yl)aceticacid
1214864308
2(6benzamido1Hindol3yl)2(4(2(dimethylamino)2oxoethyl)piperazin1yl)aceticacid
CN(C)C(=O)CN1CCN(CC1)C(C2=CNC3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4)C(=O)O
InChI=1SC25H29N5O4c128(2)22(31)1629101230(131129)23(25(33)34)201526211418(8919(20)21)2724(32)176435717h3914152326H101316H212H3(H2732)(H3334)
MFCD13760029
OC(=O)C(c1c(nH)c2c1ccc(c2)NC(=O)c1ccccc1)N1CCN(CC1)CC(=O)N(C)C
ZINC000036360945
ZINC000036360946

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Available files

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