Vitas-M small molecule compound
2-methoxy-4-[(E)-(2-{[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetyl}hydrazinylidene)methyl]phenyl 3-bromobenzoate
Catalog ID
STK671976
SMILES COc1cc(/C=N/NC(=O)COc2ccc(cc2)C(CC(C)(C)C)(C)C)ccc1OC(=O)c1cccc(c1)Br
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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 C31H35BrN2O5 MW 595.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35BrN2O5/c1-30(2,3)20-31(4,5)23-11-13-25(14-12-23)38-19-28(35)34-33-18-21-10-15-26(27(16-21)37-6)39-29(36)22-8-7-9-24(32)17-22/h7-18H,19-20H2,1-6H3,(H,34,35)/b33-18+InChIKey
MJCLTXUXJBVXDW-DPNNOFEESA-NSynonyms
(2methoxy4((E)((2(4(244trimethylpentan2yl)phenoxy)acetyl)hydrazinylidene)methyl)phenyl)3bromobenzoate
2methoxy4((E)(2((4(244trimethylpentan2yl)phenoxy)acetyl)hydrazinylidene)methyl)phenyl3bromobenzoate
CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCC(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)Br)OC
COc1cc(C=NNC(=O)COc2ccc(cc2)C(CC(C)(C)C)(C)C)ccc1OC(=O)c1cccc(c1)Br
InChI=1SC31H35BrN2O5c130(23)2031(45)23111325(141223)381928(35)34331821101526(27(1621)376)3929(36)2287924(32)1722h718H1920H216H3(H3435)b3318+
MFCD00822030
ZINC000100047026
ZINC102776726
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