Vitas-M small molecule compound
2-[(E)-(3,5-dibromo-4-hydroxy-2-methylphenyl)(3,5-dibromo-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid
Catalog ID
STK331050
SMILES BrC1=C/C(=C(\c2ccccc2S(=O)(=O)O)/c2cc(Br)c(c(c2C)Br)O)/C(=C(C1=O)Br)C
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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 C21H14Br4O5S MW 698.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14Br4O5S/c1-9-12(7-14(22)20(26)18(9)24)17(11-5-3-4-6-16(11)31(28,29)30)13-8-15(23)21(27)19(25)10(13)2/h3-8,26H,1-2H3,(H,28,29,30)/b17-13-InChIKey
INBQSOALTMPZQK-LGMDPLHJSA-NSynonyms
99613-11-3(E)2((35dibromo2methyl4oxocyclohexa25dien1ylidene)(35dibromo4hydroxy2methylphenyl)methyl)benzenesulfonicacid
2((35DIBROMO4HYDROXY2METHYLPHENYL)(35DIBROMO2METHYL4OXOCYCLOHEXA25DIEN1YLIDENE)METHYL)BENZENESULFONICACID
2((E)(35dibromo4hydroxy2methylphenyl)(35dibromo2methyl4oxocyclohexa25dien1ylidene)methyl)benzenesulfonicacid
2((Z)(35DIBROMO4HYDROXY2METHYLPHENYL)(35DIBROMO2METHYL4OXOCYCLOHEXA25DIEN1YLIDENE)METHYL)BENZENESULFONICACID
99613113
BrC1=CC(=C(c2ccccc2S(=O)(=O)O)c2cc(Br)c(c(c2C)Br)O)C(=C(C1=O)Br)C
CC1=C(C(=C(C=C1C(=C2C=C(C(=O)C(=C2C)Br)Br)C3=CC=CC=C3S(=O)(=O)O)Br)O)Br
InChI=1SC21H14Br4O5Sc1912(714(22)20(26)18(9)24)17(11534616(11)31(2829)30)13815(23)21(27)19(25)10(13)2h3826H12H3(H282930)b1713
MFCD00338224
ZINC000150339366
Check stock
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Check stock on Vitas-MAvailable files
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