Vitas-M small molecule compound

2-(2-{4-[(3,4,5-trimethoxyphenyl)carbonyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STK542036
SMILES COc1cc(cc(c1OC)OC)C(=O)N1CCN(CC1)CCn1c(=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 C28H29N3O6 MW 503.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O6/c1-35-22-16-19(17-23(36-2)25(22)37-3)26(32)30-13-10-29(11-14-30)12-15-31-27(33)20-8-4-6-18-7-5-9-21(24(18)20)28(31)34/h4-9,16-17H,10-15H2,1-3H3
InChIKey
XGEWLKYHDCYSES-UHFFFAOYSA-N
Synonyms
327093-95-8
2(2(4((345trimethoxyphenyl)carbonyl)piperazin1yl)ethyl)1Hbenzo(de)isoquinoline13(2H)dione
2(2(4(345TRIMETHOXYBENZOYL)1PIPERAZINYL)ETHYL)1HBENZO(DE)ISOQUINOLINE13(2H)DIONE
2(2(4(345TRIMETHOXYBENZOYL)PIPERAZIN1YL)ETHYL)1HBENZO(DE)ISOQUINOLINE13(2H)DIONE
2(2(4(345TRIMETHOXYBENZOYL)PIPERAZIN1YL)ETHYL)BENZO(DE)ISOQUINOLINE13DIONE
327093958
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O
InChI=1SC28H29N3O6c135221619(1723(362)25(22)373)26(32)30131029(111430)12153127(33)208461875921(24(18)20)28(31)34h491617H1015H213H3
MFCD02659575
ZINC000054281454
ZINC54281454

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Available files

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