Vitas-M small molecule compound

ethyl {4-[(E)-(2-{2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-3-methylbutanoyl}hydrazinylidene)methyl]-2-ethoxyphenoxy}acetate (non-preferred name)

Catalog ID
STK361574
SMILES CCOc1cc(/C=N/NC(=O)C(C(C)C)NC(=O)c2ccc3c(c2)OCO3)ccc1OCC(=O)OCC

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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 C26H31N3O8 MW 513.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O8/c1-5-33-21-11-17(7-9-19(21)35-14-23(30)34-6-2)13-27-29-26(32)24(16(3)4)28-25(31)18-8-10-20-22(12-18)37-15-36-20/h7-13,16,24H,5-6,14-15H2,1-4H3,(H,28,31)(H,29,32)/b27-13+
InChIKey
TZURKFNLMVXBSM-UVHMKAGCSA-N
Synonyms

CCOC1=C(C=CC(=C1)C=NNC(=O)C(C(C)C)NC(=O)C2=CC3=C(C=C2)OCO3)OCC(=O)OCC
CCOc1cc(C=NNC(=O)C(C(C)C)NC(=O)c2ccc3c(c2)OCO3)ccc1OCC(=O)OCC
ETHYL(4((E)(2(2((13BENZODIOXOL5YLCARBONYL)AMINO)3METHYLBUTANOYL)HYDRAZINYLIDENE)METHYL)2ETHOXYPHENOXY)ACETATE(NONPREFERREDNAME)
ethyl2(4((E)((2(13benzodioxole5carbonylamino)3methylbutanoyl)hydrazinylidene)methyl)2ethoxyphenoxy)acetate
InChI=1SC26H31N3O8c1533211117(7919(21)351423(30)3462)13272926(32)24(16(3)4)2825(31)188102022(1218)37153620h7131624H561415H214H3(H2831)(H2932)b2713+
MFCD10469628
ZINC000010001241
ZINC000010001242

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Available files

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