Vitas-M small molecule compound
8-iodo-4-methyl-2-oxo-2H-chromen-7-yl 4-chloro-3-nitrobenzoate
Catalog ID
STK840579
SMILES O=c1cc(C)c2c(o1)c(I)c(cc2)OC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
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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 C17H9ClINO6 MW 485.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H9ClINO6/c1-8-6-14(21)26-16-10(8)3-5-13(15(16)19)25-17(22)9-2-4-11(18)12(7-9)20(23)24/h2-7H,1H3InChIKey
IBSFYWXIBYBGHC-UHFFFAOYSA-NSynonyms
371117-85-0(8IODO4METHYL2OXOCHROMEN7YL)4CHLORO3NITROBENZOATE
371117850
8iodo4methyl2oxo2Hchromen7yl4chloro3nitrobenzoate
CC1=CC(=O)OC2=C1C=CC(=C2I)OC(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
InChI=1SC17H9ClINO6c18614(21)261610(8)3513(15(16)19)2517(22)92411(18)12(79)20(23)24h27H1H3
MFCD02922828
O=c1cc(C)c2c(o1)c(I)c(cc2)OC(=O)c1ccc(c(c1)(N+)(=O)(O))Cl
ZINC000001180581
ZINC01180581
ZINC1180581
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