Vitas-M small molecule compound

(8Z,8'Z)-8,8'-bis{[(3,4-dimethylphenyl)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
STL514010
SMILES CC(C1=C(O)C(=O)/C(=C\Nc2ccc(c(c2)C)C)/c2c1cc(C)c(c2O)c1c(C)cc2c(c1O)/C(=C/Nc1ccc(c(c1)C)C)/C(=O)C(=C2C(C)C)O)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 C46H48N2O6 MW 724.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C46H48N2O6/c1-21(2)35-31-17-27(9)37(43(51)39(31)33(41(49)45(35)53)19-47-29-13-11-23(5)25(7)15-29)38-28(10)18-32-36(22(3)4)46(54)42(50)34(40(32)44(38)52)20-48-30-14-12-24(6)26(8)16-30/h11-22,47-48,51-54H,1-10H3/b33-19-,34-20-
InChIKey
LHXHQVQUMQFBOY-NBDJWBGESA-N
Synonyms

(1~(Z))1((34dimethylanilino)methylidene)7((8~(Z))8((34dimethylanilino)methylidene)16dihydroxy3methyl7oxo5propan2ylnaphthalen2yl)38dihydroxy6methyl4propan2ylnaphthalen2one
(1Z)1((34DIMETHYLANILINO)METHYLIDENE)7((8Z)8((34DIMETHYLANILINO)METHYLIDENE)16DIHYDROXY3METHYL7OXO5PROPAN2YLNAPHTHALEN2YL)38DIHYDROXY6METHYL4PROPAN2YLNAPHTHALEN2ONE
(8Z8Z)88bis(((34dimethylphenyl)amino)methylidene)1166tetrahydroxy33dimethyl55di(propan2yl)22binaphthalene77(8H8H)dione
6518922
InChI=1SC46H48N2O6c121(2)35311727(9)37(43(51)39(31)33(41(49)45(35)53)194729131123(5)25(7)1529)3828(10)183236(22(3)4)46(54)42(50)34(40(32)44(38)52)204830141224(6)26(8)1630h112247485154H110H3b33193420
MFCD03804364
ZINC000150473952
ZINC150473952

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Available files

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