Vitas-M small molecule compound
2-methoxy-4-{(E)-[2-({[(3,4,5-trimethoxyphenyl)carbonyl]amino}acetyl)hydrazinylidene]methyl}phenyl 4-bromobenzoate (non-preferred name)
Catalog ID
STK671242
SMILES COc1cc(/C=N/NC(=O)CNC(=O)c2cc(OC)c(c(c2)OC)OC)ccc1OC(=O)c1ccc(cc1)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 C27H26BrN3O8 MW 600.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26BrN3O8/c1-35-21-11-16(5-10-20(21)39-27(34)17-6-8-19(28)9-7-17)14-30-31-24(32)15-29-26(33)18-12-22(36-2)25(38-4)23(13-18)37-3/h5-14H,15H2,1-4H3,(H,29,33)(H,31,32)/b30-14+InChIKey
BDUODOCLQRHFNP-AMVVHIIESA-NSynonyms
(2methoxy4((E)((2((345trimethoxybenzoyl)amino)acetyl)hydrazinylidene)methyl)phenyl)4bromobenzoate
2methoxy4((E)(2((((345trimethoxyphenyl)carbonyl)amino)acetyl)hydrazinylidene)methyl)phenyl4bromobenzoate(nonpreferredname)
COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)Br)OC
COc1cc(C=NNC(=O)CNC(=O)c2cc(OC)c(c(c2)OC)OC)ccc1OC(=O)c1ccc(cc1)Br
InChI=1SC27H26BrN3O8c135211116(51020(21)3927(34)176819(28)9717)14303124(32)152926(33)181222(362)25(384)23(1318)373h514H15H214H3(H2933)(H3132)b3014+
MFCD00741091
ZINC000100042710
ZINC102775680
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