Vitas-M small molecule compound
2-{[(E)-(5-iodofuran-2-yl)methylidene]amino}-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
Catalog ID
STK729274
SMILES O=C1C2C(C(=O)N1/N=C/c1ccc(o1)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 C16H13IN2O3 MW 408.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13IN2O3/c17-11-4-1-8(22-11)7-18-19-14(20)12-9-2-3-10(13(12)15(19)21)16(9)5-6-16/h1-4,7,9-10,12-13H,5-6H2/b18-7+InChIKey
IGDMRORWPZKYBQ-CNHKJKLMSA-NSynonyms
2(((E)(5iodofuran2yl)methylidene)amino)3a477atetrahydro1Hspiro(2aza47methanoisoindole81cyclopropane)13(2H)dione
C1CC12C3C=CC2C4C3C(=O)N(C4=O)N=CC5=CC=C(O5)I
InChI=1SC16H13IN2O3c1711418(2211)7181914(20)1292310(13(12)15(19)21)16(9)5616h1479101213H56H2b187+
MFCD01240525
O=C1C2C(C(=O)N1N=Cc1ccc(o1)I)C1C3(C2C=C1)CC3
ZINC000105209485
ZINC000105209494
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