Vitas-M small molecule compound
6,6'-{[1,1',6,6'-tetrahydroxy-3,3'-dimethyl-7,7'-dioxo-5,5'-di(propan-2-yl)-2,2'-binaphthalene-8,8'(7H,7'H)-diylidene]bis[(Z)methylylideneimino]}dihexanoic acid
Catalog ID
STL514477
SMILES OC(=O)CCCCCN/C=C/1\C(=O)C(=C(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)/C(=C/NCCCCCC(=O)O)/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 C42H52N2O10 MW 744.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H52N2O10/c1-21(2)31-25-17-23(5)33(39(51)35(25)27(37(49)41(31)53)19-43-15-11-7-9-13-29(45)46)34-24(6)18-26-32(22(3)4)42(54)38(50)28(36(26)40(34)52)20-44-16-12-8-10-14-30(47)48/h17-22,43-44,51-54H,7-16H2,1-6H3,(H,45,46)(H,47,48)/b27-19-,28-20-InChIKey
FUPDMJQIVFSMNG-RSSRHXQMSA-NSynonyms
66(((1Z1Z)(1166tetrahydroxy55diisopropyl33dimethyl77dioxo(22binaphthalene)88(7H7H)diylidene)bis(methanylylidene))bis(azanediyl))dihexanoicacid
66((1166tetrahydroxy33dimethyl77dioxo55di(propan2yl)22binaphthalene88(7H7H)diylidene)bis((Z)methylylideneimino))dihexanoicacid
InChI=1SC42H52N2O10c121(2)31251723(5)33(39(51)35(25)27(37(49)41(31)53)19431511791329(45)46)3424(6)182632(22(3)4)42(54)38(50)28(36(26)40(34)52)204416128101430(47)48h172243445154H716H216H3(H4546)(H4748)b27192820
MFCD00694224
OC(=O)CCCCCNC=C1C(=O)C(=C(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)C(=CNCCCCCC(=O)O)C(=O)C(=C2C(C)C)O)C(C)C)O
ZINC000150346232
Check stock
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Check stock on Vitas-MAvailable files
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