Vitas-M small molecule compound
3-[(E)-(2-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]phenyl benzoate
Catalog ID
STK513876
SMILES O=C(/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1)N/N=C/c1cccc(c1)OC(=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 C31H23N3O6 MW 533.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H23N3O6/c35-29(23-9-3-1-4-10-23)33-26(17-21-14-15-27-28(18-21)39-20-38-27)30(36)34-32-19-22-8-7-13-25(16-22)40-31(37)24-11-5-2-6-12-24/h1-19H,20H2,(H,33,35)(H,34,36)/b26-17+,32-19+InChIKey
LIFZJXPQIGEKFJ-LLIMICRDSA-NSynonyms
(3((E)(((E)2benzamido3(13benzodioxol5yl)prop2enoyl)hydrazinylidene)methyl)phenyl)benzoate
3((E)(2((2E)3(13benzodioxol5yl)2((phenylcarbonyl)amino)prop2enoyl)hydrazinylidene)methyl)phenylbenzoate
C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NN=CC3=CC(=CC=C3)OC(=O)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5
InChI=1SC31H23N3O6c3529(2393141023)3326(172114152728(1821)39203827)30(36)34321922871325(1622)4031(37)24115261224h119H20H2(H3335)(H3436)b2617+3219+
MFCD01129440
O=C(C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1)NN=Cc1cccc(c1)OC(=O)c1ccccc1
ZINC000097964207
ZINC102276324
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