Vitas-M small molecule compound

4-[(E)-(2-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]acetyl}hydrazinylidene)methyl]-2-methoxyphenyl 2-chloro-4,5-difluorobenzoate

Catalog ID
STK673341
SMILES COc1cc(/C=N/NC(=O)Cn2c(nc3c2cccc3)c2nonc2N)ccc1OC(=O)c1cc(F)c(cc1Cl)F

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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 C26H18ClF2N7O5 MW 581.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18ClF2N7O5/c1-39-21-8-13(6-7-20(21)40-26(38)14-9-16(28)17(29)10-15(14)27)11-31-33-22(37)12-36-19-5-3-2-4-18(19)32-25(36)23-24(30)35-41-34-23/h2-11H,12H2,1H3,(H2,30,35)(H,33,37)/b31-11+
InChIKey
DSPNFKNTHUHRBC-QFDQHJFZSA-N
Synonyms

(4((E)((2(2(4AMINO125OXADIAZOL3YL)BENZIMIDAZOL1YL)ACETYL)HYDRAZINYLIDENE)METHYL)2METHOXYPHENYL)2CHLORO45DIFLUOROBENZOATE
4((E)(2((2(4amino125oxadiazol3yl)1Hbenzimidazol1yl)acetyl)hydrazinylidene)methyl)2methoxyphenyl2chloro45difluorobenzoate
4(2((2(4AMINO125OXADIAZOL3YL)1HBENZIMIDAZOL1YL)ACETYL)CARBOHYDRAZONOYL)2METHOXYPHENYL2CHLORO45DIFLUOROBENZOATE
COC1=C(C=CC(=C1)C=NNC(=O)CN2C3=CC=CC=C3N=C2C4=NON=C4N)OC(=O)C5=CC(=C(C=C5Cl)F)F
COc1cc(C=NNC(=O)Cn2c(nc3c2cccc3)c2nonc2N)ccc1OC(=O)c1cc(F)c(cc1Cl)F
InChI=1SC26H18ClF2N7O5c13921813(6720(21)4026(38)14916(28)17(29)1015(14)27)11313322(37)123619532418(19)3225(36)2324(30)35413423h211H12H21H3(H23035)(H3337)b3111+
MFCD01029691
ZINC000051011790
ZINC33353187

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Available files

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