Vitas-M small molecule compound

(4R,7S)-2-{2-[4-(4-nitrobenzyl)piperazin-1-yl]ethyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

Catalog ID
STK533210
SMILES O=C1N(CCN2CCN(CC2)Cc2ccc(cc2)[N+](=O)[O-])C(=O)C2C1[C@@H]1C=C[C@H]2C1

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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 C22H26N4O4 MW 410.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O4/c27-21-19-16-3-4-17(13-16)20(19)22(28)25(21)12-11-23-7-9-24(10-8-23)14-15-1-5-18(6-2-15)26(29)30/h1-6,16-17,19-20H,7-14H2/t16-,17+,19?,20?
InChIKey
NAERQYNXVOZYOS-FWYSVENZSA-N
Synonyms

(4R7S)2(2(4(4nitrobenzyl)piperazin1yl)ethyl)3a477atetrahydro1H47methanoisoindole13(2H)dione
C1CN(CCN1CCN2C(=O)C3C4CC(C3C2=O)C=C4)CC5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC22H26N4O4c272119163417(1316)20(19)22(28)25(21)1211237924(10823)14151518(6215)26(29)30h1616171920H714H2t1617+19?20?
MFCD02235599
O=C1N(CCN2CCN(CC2)Cc2ccc(cc2)(N+)(=O)(O))C(=O)C2C1(C@@H)1C=C(C@H)2C1
ZINC000002294015
ZINC000096445816

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Available files

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