Vitas-M small molecule compound

2-{1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}hexahydro-1H-isoindole-1,3(2H)-dione

Catalog ID
STK076504
SMILES O=C(C(N1C(=O)C2C(C1=O)CCCC2)Cc1ccccc1)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 C29H33N3O5 MW 503.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O5/c33-27-22-8-4-5-9-23(22)28(34)32(27)24(16-20-6-2-1-3-7-20)29(35)31-14-12-30(13-15-31)18-21-10-11-25-26(17-21)37-19-36-25/h1-3,6-7,10-11,17,22-24H,4-5,8-9,12-16,18-19H2
InChIKey
XUMDLSPMECLYGW-UHFFFAOYSA-N
Synonyms
459147-45-6
2(1(4(13benzodioxol5ylmethyl)piperazin1yl)1oxo3phenylpropan2yl)3a45677ahexahydroisoindole13dione
2(1(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)1OXO3PHENYLPROPAN2YL)HEXAHYDRO1HISOINDOLE13(2H)DIONE
2(1(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)1oxo3phenylpropan2yl)hexahydro1Hisoindole13(2H)dione
459147456
C1CCC2C(C1)C(=O)N(C2=O)C(CC3=CC=CC=C3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6
InChI=1SC29H33N3O5c332722845923(22)28(34)32(27)24(16206213720)29(35)31141230(131531)182110112526(1721)37193625h13671011172224H458912161819H2
MFCD03010387
O=C(C(N1C(=O)C2C(C1=O)CCCC2)Cc1ccccc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2
STK076504
ZINC000009334165
ZINC000239247979

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Available files

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