Vitas-M small molecule compound

[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl][5-(cyanomethoxy)-1H-indol-3-yl]acetic acid

Catalog ID
STK930989
SMILES N#CCOc1ccc2c(c1)c(c[nH]2)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)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 C24H24N4O5 MW 448.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O5/c25-5-10-31-17-2-3-20-18(12-17)19(13-26-20)23(24(29)30)28-8-6-27(7-9-28)14-16-1-4-21-22(11-16)33-15-32-21/h1-4,11-13,23,26H,6-10,14-15H2,(H,29,30)
InChIKey
FVMMJZQATJLDGJ-UHFFFAOYSA-N
Synonyms
1236259-93-0
(4(13benzodioxol5ylmethyl)piperazin1yl)(5(cyanomethoxy)1Hindol3yl)aceticacid
1236259930
2(4(13benzodioxol5ylmethyl)piperazin1yl)2(5(cyanomethoxy)1Hindol3yl)aceticacid
2(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)2(5(cyanomethoxy)1Hindol3yl)aceticacid
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(C4=CNC5=C4C=C(C=C5)OCC#N)C(=O)O
InChI=1SC24H24N4O5c255103117232018(1217)19(132620)23(24(29)30)288627(7928)1416142122(1116)33153221h1411132326H6101415H2(H2930)
MFCD16627883
N#CCOc1ccc2c(c1)c(c(nH)2)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)C(=O)O
ZINC000040288524
ZINC000040288525

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Available files

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