Vitas-M small molecule compound

3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-[4-(hexyloxy)phenyl]pyrrolidine-2,5-dione

Catalog ID
STK035491
SMILES CCCCCCOc1ccc(cc1)N1C(=O)CC(C1=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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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 C28H35N3O5 MW 493.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N3O5/c1-2-3-4-5-16-34-23-9-7-22(8-10-23)31-27(32)18-24(28(31)33)30-14-12-29(13-15-30)19-21-6-11-25-26(17-21)36-20-35-25/h6-11,17,24H,2-5,12-16,18-20H2,1H3
InChIKey
OYYLCTFBSWRSBO-UHFFFAOYSA-N
Synonyms
331966-28-0
3(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)1(4(HEXYLOXY)PHENYL)PYRROLIDINE25DIONE
3(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)1(4HEXOXYPHENYL)PYRROLIDINE25DIONE
3(4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)1(4HEXYLOXYPHENYL)AZOLIDINE25DIONE
3(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)1(4(hexyloxy)phenyl)pyrrolidine25dione
331966280
CCCCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5
CCCCCCOc1ccc(cc1)N1C(=O)CC(C1=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2
InChI=1SC28H35N3O5c123451634239722(81023)3127(32)1824(28(31)33)30141229(131530)19216112526(1721)36203525h6111724H2512161820H21H3
MFCD00758961
STK035491
ZINC000023006864
ZINC000100453054

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Available files

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