Vitas-M small molecule compound

2-{[(E)-(4-iodophenyl)methylidene]amino}-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione

Catalog ID
STK729267
SMILES O=C1C2C(C(=O)N1/N=C/c1ccc(cc1)I)C1C3(C2C=C1)CC3

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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 C18H15IN2O2 MW 418.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15IN2O2/c19-11-3-1-10(2-4-11)9-20-21-16(22)14-12-5-6-13(15(14)17(21)23)18(12)7-8-18/h1-6,9,12-15H,7-8H2/b20-9+
InChIKey
NJDZIZYSGJRXKN-AWQFTUOYSA-N
Synonyms

2(((E)(4iodophenyl)methylidene)amino)3a477atetrahydro1Hspiro(2aza47methanoisoindole81cyclopropane)13(2H)dione
C1CC12C3C=CC2C4C3C(=O)N(C4=O)N=CC5=CC=C(C=C5)I
InChI=1SC18H15IN2O2c19113110(2411)9202116(22)14125613(15(14)17(21)23)18(12)7818h1691215H78H2b209+
MFCD01304123
O=C1C2C(C(=O)N1N=Cc1ccc(cc1)I)C1C3(C2C=C1)CC3
ZINC000105209618
ZINC000105209626

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Available files

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