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2-[(Z)-(3-{[bis(2-methoxy-2-oxoethyl)amino]methyl}-4-hydroxy-5-methylphenyl)(3-{[bis(2-methoxy-2-oxoethyl)amino]methyl}-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid

Catalog ID
STL050723
SMILES COC(=O)CN(CC1=C/C(=C(\c2ccccc2S(=O)(=O)O)/c2cc(C)c(c(c2)CN(CC(=O)OC)CC(=O)OC)O)/C=C(C1=O)C)CC(=O)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 C35H40N2O13S MW 728.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40N2O13S/c1-21-11-23(13-25(34(21)42)15-36(17-29(38)47-3)18-30(39)48-4)33(27-9-7-8-10-28(27)51(44,45)46)24-12-22(2)35(43)26(14-24)16-37(19-31(40)49-5)20-32(41)50-6/h7-14,42H,15-20H2,1-6H3,(H,44,45,46)/b33-24-
InChIKey
QCZUZGPGSVSWND-GIBOGKFOSA-N
Synonyms

(Z)2((3((bis(2methoxy2oxoethyl)amino)methyl)4hydroxy5methylphenyl)(3((bis(2methoxy2oxoethyl)amino)methyl)5methyl4oxocyclohexa25dien1ylidene)methyl)benzenesulfonicacid
2((Z)(3((bis(2methoxy2oxoethyl)amino)methyl)4hydroxy5methylphenyl)(3((bis(2methoxy2oxoethyl)amino)methyl)5methyl4oxocyclohexa25dien1ylidene)methyl)benzenesulfonicacid
CC1=CC(=C(C2=CC=CC=C2S(=O)(=O)O)C3=CC(=C(C(=C3)CN(CC(=O)OC)CC(=O)OC)O)C)C=C(C1=O)CN(CC(=O)OC)CC(=O)OC
COC(=O)CN(CC1=CC(=C(c2ccccc2S(=O)(=O)O)c2cc(C)c(c(c2)CN(CC(=O)OC)CC(=O)OC)O)C=C(C1=O)C)CC(=O)OC
InChI=1SC35H40N2O13Sc1211123(1325(34(21)42)1536(1729(38)473)1830(39)484)33(279781028(27)51(4445)46)241222(2)35(43)26(1424)1637(1931(40)495)2032(41)506h71442H1520H216H3(H444546)b3324
MFCD01070435
ZINC000097969971

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Available files

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