Vitas-M small molecule compound
4-[(E)-(2-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]-2-methoxyphenyl furan-2-carboxylate
Catalog ID
STK513864
SMILES COc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)/NC(=O)c2ccccc2)ccc1OC(=O)c1ccco1
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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 C30H23N3O8 MW 553.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23N3O8/c1-37-26-16-20(10-12-24(26)41-30(36)25-8-5-13-38-25)17-31-33-29(35)22(32-28(34)21-6-3-2-4-7-21)14-19-9-11-23-27(15-19)40-18-39-23/h2-17H,18H2,1H3,(H,32,34)(H,33,35)/b22-14+,31-17+InChIKey
VXMOAAJPWVCGDC-UHZIXXCBSA-NSynonyms
(4((E)(((E)2benzamido3(13benzodioxol5yl)prop2enoyl)hydrazinylidene)methyl)2methoxyphenyl)furan2carboxylate
4((E)(2((2E)3(13benzodioxol5yl)2((phenylcarbonyl)amino)prop2enoyl)hydrazinylidene)methyl)2methoxyphenylfuran2carboxylate
COC1=C(C=CC(=C1)C=NNC(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CO5
COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccco1
InChI=1SC30H23N3O8c137261620(101224(26)4130(36)2585133825)17313329(35)22(3228(34)216324721)14199112327(1519)40183923h217H18H21H3(H3234)(H3335)b2214+3117+
MFCD00822505
ZINC000100047307
ZINC102276133
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