Vitas-M small molecule compound
5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione
Catalog ID
STK758399
SMILES O=C1OC(C)(C)OC(=O)C1=Cc1ccc(o1)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 C17H12ClNO7 MW 377.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12ClNO7/c1-17(2)25-15(20)11(16(21)26-17)8-10-4-6-14(24-10)9-3-5-12(18)13(7-9)19(22)23/h3-8H,1-2H3InChIKey
YXCAXARLFFEEJQ-UHFFFAOYSA-NSynonyms
5((5(4chloro3nitrophenyl)furan2yl)methylidene)22dimethyl13dioxane46dione
CC1(OC(=O)C(=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)(N+)(=O)(O))C(=O)O1)C
InChI=1SC17H12ClNO7c117(2)2515(20)11(16(21)2617)8104614(2410)93512(18)13(79)19(22)23h38H12H3
MFCD01061837
O=C1OC(C)(C)OC(=O)C1=Cc1ccc(o1)c1ccc(c(c1)(N+)(=O)(O))Cl
ZINC000001060618
ZINC01060618
ZINC1060618
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