Vitas-M small molecule compound

methyl 4-[(E)-(2-{(2E)-3-(3,4-dimethoxyphenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]benzoate

Catalog ID
STK747701
SMILES COC(=O)c1ccc(cc1)/C=N/NC(=O)/C(=C\c1ccc(c(c1)OC)OC)/NC(=O)c1ccccc1

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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 C27H25N3O6 MW 487.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O6/c1-34-23-14-11-19(16-24(23)35-2)15-22(29-25(31)20-7-5-4-6-8-20)26(32)30-28-17-18-9-12-21(13-10-18)27(33)36-3/h4-17H,1-3H3,(H,29,31)(H,30,32)/b22-15+,28-17+
InChIKey
ASZQVECYKUIFRA-SERGHYIJSA-N
Synonyms

COC(=O)c1ccc(cc1)C=NNC(=O)C(=Cc1ccc(c(c1)OC)OC)NC(=O)c1ccccc1
COC1=C(C=C(C=C1)C=C(C(=O)NN=CC2=CC=C(C=C2)C(=O)OC)NC(=O)C3=CC=CC=C3)OC
InChI=1SC27H25N3O6c13423141119(1624(23)352)1522(2925(31)207546820)26(32)3028171891221(131018)27(33)363h417H13H3(H2931)(H3032)b2215+2817+
methyl4((E)(((E)2benzamido3(34dimethoxyphenyl)prop2enoyl)hydrazinylidene)methyl)benzoate
methyl4((E)(2((2E)3(34dimethoxyphenyl)2((phenylcarbonyl)amino)prop2enoyl)hydrazinylidene)methyl)benzoate
MFCD00313412
ZINC000012371162
ZINC33908272

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.