Vitas-M small molecule compound
(8Z,8'Z)-8,8'-bis{[(4-butoxyphenyl)amino]methylidene}-1,1',6,6'-tetrahydroxy-3,3'-dimethyl-5,5'-di(propan-2-yl)-2,2'-binaphthalene-7,7'(8H,8'H)-dione
Catalog ID
STL512557
SMILES CCCCOc1ccc(cc1)N/C=C/1\C(=O)C(=C(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)/C(=C/Nc1ccc(cc1)OCCCC)/C(=O)C(=C2C(C)C)O)C(C)C)O
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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 C50H56N2O8 MW 813.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C50H56N2O8/c1-9-11-21-59-33-17-13-31(14-18-33)51-25-37-43-35(39(27(3)4)49(57)45(37)53)23-29(7)41(47(43)55)42-30(8)24-36-40(28(5)6)50(58)46(54)38(44(36)48(42)56)26-52-32-15-19-34(20-16-32)60-22-12-10-2/h13-20,23-28,51-52,55-58H,9-12,21-22H2,1-8H3/InChIKey
UWQQHZABQIGOII-MEDPLMNLSA-NSynonyms
374701-82-3(1~(Z))1((4butoxyanilino)methylidene)7((8~(Z))8((4butoxyanilino)methylidene)16dihydroxy3methyl7oxo5propan2ylnaphthalen2yl)38dihydroxy6methyl4propan2ylnaphthalen2one
(1Z)1((4BUTOXYANILINO)METHYLIDENE)7((8Z)8((4BUTOXYANILINO)METHYLIDENE)16DIHYDROXY3METHYL7OXO5PROPAN2YLNAPHTHALEN2YL)38DIHYDROXY6METHYL4PROPAN2YLNAPHTHALEN2ONE
(8Z8Z)88bis(((4butoxyphenyl)amino)methylene)1166tetrahydroxy55diisopropyl33dimethyl(22binaphthalene)77(8H8H)dione
(8Z8Z)88bis(((4butoxyphenyl)amino)methylidene)1166tetrahydroxy33dimethyl55di(propan2yl)22binaphthalene77(8H8H)dione
374701823
5925007
CCCCOc1ccc(cc1)NC=C1C(=O)C(=C(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)C(=CNc1ccc(cc1)OCCCC)C(=O)C(=C2C(C)C)O)C(C)C)O
InChI=1SC50H56N2O8c1911215933171331(141833)5125374335(39(27(3)4)49(57)45(37)53)2329(7)41(47(43)55)4230(8)243640(28(5)6)50(58)46(54)38(44(36)48(42)56)265232151934(201632)602212102h1320232851525558H9122122H218H3b37253826
MFCD00995375
ZINC000150346784
ZINC150346784
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