Vitas-M small molecule compound
2-(2-{4-[2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)ethyl]piperazin-1-yl}-2-oxoethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL200191
SMILES O=C(N1CCN(CC1)CCN1C(=O)C2C(C1=O)C1CC2C=C1)Cn1c(=O)c2cccc3c2c(c1=O)ccc3
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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 C29H28N4O5 MW 512.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O5/c34-22(16-33-26(35)20-5-1-3-17-4-2-6-21(23(17)20)27(33)36)31-12-9-30(10-13-31)11-14-32-28(37)24-18-7-8-19(15-18)25(24)29(32)38/h1-8,18-19,24-25H,9-16H2InChIKey
XTDHEOGJUOXHII-UHFFFAOYSA-NSynonyms
361366-51-02(2(4(2(13dioxo133a477ahexahydro2H47methanoisoindol2yl)ethyl)piperazin1yl)2oxoethyl)1Hbenzo(de)isoquinoline13(2H)dione
2(2(4(2(13DIOXO3A477ATETRAHYDRO1H47METHANOISOINDOL2(3H)YL)ETHYL)PIPERAZIN1YL)2OXOETHYL)1HBENZO(DE)ISOQUINOLINE13(2H)DIONE
361366510
C1CN(CCN1CCN2C(=O)C3C4CC(C3C2=O)C=C4)C(=O)CN5C(=O)C6=CC=CC7=C6C(=CC=C7)C5=O
InChI=1SC29H28N4O5c3422(163326(35)205131742621(23(17)20)27(33)36)3112930(101331)11143228(37)24187819(1518)25(24)29(32)38h1818192425H916H2
MFCD01945297
ZINC000100680837
ZINC000101859584
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