Vitas-M small molecule compound

(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)(5-methyl-1H-indol-3-yl)acetic acid

Catalog ID
STK641606
SMILES COCCNC(=O)CN1CCN(CC1)C(c1c[nH]c2c1cc(C)cc2)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 C20H28N4O4 MW 388.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N4O4/c1-14-3-4-17-15(11-14)16(12-22-17)19(20(26)27)24-8-6-23(7-9-24)13-18(25)21-5-10-28-2/h3-4,11-12,19,22H,5-10,13H2,1-2H3,(H,21,25)(H,26,27)
InChIKey
QZNBRLUPVGAJNI-UHFFFAOYSA-N
Synonyms
1081115-48-1
(4(2((2methoxyethyl)amino)2oxoethyl)piperazin1yl)(5methyl1Hindol3yl)aceticacid
1081115481
2(4(2((2methoxyethyl)amino)2oxoethyl)piperazin1yl)2(5methyl1Hindol3yl)aceticacid
2(4(2(2methoxyethylamino)2oxoethyl)piperazin1yl)2(5methyl1Hindol3yl)aceticacid
CC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)CC(=O)NCCOC
COCCNC(=O)CN1CCN(CC1)C(c1c(nH)c2c1cc(C)cc2)C(=O)O
InChI=1SC20H28N4O4c114341715(1114)16(122217)19(20(26)27)248623(7924)1318(25)21510282h3411121922H51013H212H3(H2125)(H2627)
MFCD12206846
ZINC000020723864
ZINC000020723868

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Available files

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