Vitas-M small molecule compound
6-[(E)-(2-{[(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]acetyl}hydrazinylidene)methyl]-2,3-dimethoxybenzoic acid (non-preferred name)
Catalog ID
STK528560
SMILES COc1ccc(c(c1OC)C(=O)O)/C=N/NC(=O)CNC(=O)c1ccc2c(c1)OCCO2
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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 C21H21N3O8 MW 443.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O8/c1-29-15-6-4-13(18(21(27)28)19(15)30-2)10-23-24-17(25)11-22-20(26)12-3-5-14-16(9-12)32-8-7-31-14/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,26)(H,24,25)(H,27,28)/b23-10+InChIKey
OVZGAQKRMGRPLL-AUEPDCJTSA-NSynonyms
372082-55-8(E)6((2(2(23dihydrobenzo(b)(14)dioxine6carboxamido)acetyl)hydrazono)methyl)23dimethoxybenzoicacid
372082558
6((E)((2(23DIHYDRO14BENZODIOXINE6CARBONYLAMINO)ACETYL)HYDRAZINYLIDENE)METHYL)23DIMETHOXYBENZOICACID
6((E)(2(((23dihydro14benzodioxin6ylcarbonyl)amino)acetyl)hydrazinylidene)methyl)23dimethoxybenzoicacid(nonpreferredname)
COC1=C(C(=C(C=C1)C=NNC(=O)CNC(=O)C2=CC3=C(C=C2)OCCO3)C(=O)O)OC
COc1ccc(c(c1OC)C(=O)O)C=NNC(=O)CNC(=O)c1ccc2c(c1)OCCO2
InChI=1SC21H21N3O8c129156413(18(21(27)28)19(15)302)10232417(25)112220(26)12351416(912)32873114h36910H7811H212H3(H2226)(H2425)(H2728)b2310+
MFCD01876068
ZINC000002271521
ZINC15985165
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