Vitas-M small molecule compound

2-[2-(5-methoxy-7-nitro-1H-indol-3-yl)ethyl]-1H-isoindole-1,3(2H)-dione

Catalog ID
STK077187
SMILES COc1cc2c(CCN3C(=O)c4c(C3=O)cccc4)c[nH]c2c(c1)[N+](=O)[O-]

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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 C19H15N3O5 MW 365.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15N3O5/c1-27-12-8-15-11(10-20-17(15)16(9-12)22(25)26)6-7-21-18(23)13-4-2-3-5-14(13)19(21)24/h2-5,8-10,20H,6-7H2,1H3
InChIKey
RUEQMJSFJFHIAN-UHFFFAOYSA-N
Synonyms
94830-04-3
2(2(5METHOXY7NITRO1HINDOL3YL)ETHYL)1HISOINDOLE13(2H)DIONE
2(2(5METHOXY7NITRO1HINDOL3YL)ETHYL)ISOINDOLE13DIONE
2(2(5methoxy7nitro1Hindol3yl)ethyl)isoindoline13dione
2(2(5METHOXY7NITROINDOL3YL)ETHYL)BENZO(C)AZOLINE13DIONE
94830043
COC1=CC(=C2C(=C1)C(=CN2)CCN3C(=O)C4=CC=CC=C4C3=O)(N+)(=O)(O)
COc1cc2c(CCN3C(=O)c4c(C3=O)cccc4)c(nH)c2c(c1)(N+)(=O)(O)
InChI=1SC19H15N3O5c1271281511(102017(15)16(912)22(25)26)672118(23)13423514(13)19(21)24h2581020H67H21H3
MFCD00367187
STK077187
ZINC000001304460
ZINC01304460
ZINC1304460

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Available files

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