Vitas-M small molecule compound
2-[(E)-(3,5-dibromo-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(3,5-dibromo-2-methylphenyl)methyl]benzenesulfonic acid - methanol (1:1)
Catalog ID
STK079869
SMILES Brc1cc(Br)c(c(c1)/C(=C\1/C=C(Br)C(=O)C(=C1C)Br)/c1ccccc1S(=O)(=O)O)C.OC
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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 C22H18Br4O5S MW 714.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14Br4O4S.CH4O/c1-10-14(7-12(22)8-16(10)23)19(13-5-3-4-6-18(13)30(27,28)29)15-9-17(24)21(26)20(25)11(15)2;1-2/h3-9H,1-2H3,(H,27,28,29);2H,1H3/b19-15-;InChIKey
BEPWPCXYFMDNGA-HVENRQQKSA-NSynonyms
2((E)(35dibromo2methyl4oxocyclohexa25dien1ylidene)(35dibromo2methylphenyl)methyl)benzenesulfonicacidmethanol
2((E)(35DIBROMO2METHYL4OXOCYCLOHEXA25DIEN1YLIDENE)(35DIBROMO2METHYLPHENYL)METHYL)BENZENESULFONICACIDMETHANOL(11)
Brc1cc(Br)c(c(c1)C(=C1C=C(Br)C(=O)C(=C1C)Br)c1ccccc1S(=O)(=O)O)COC
CC1=C(C=C(C=C1C(=C2C=C(C(=O)C(=C2C)Br)Br)C3=CC=CC=C3S(=O)(=O)O)Br)BrCO
InChI=1SC21H14Br4O4SCH4Oc11014(712(22)816(10)23)19(13534618(13)30(2728)29)15917(24)21(26)20(25)11(15)212h39H12H3(H272829)2H1H3b1915
MFCD01235922
STK079869
ZINC000097959062
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