Vitas-M small molecule compound

4-[(E)-(2-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]phenyl benzoate

Catalog ID
STK513852
SMILES O=C(/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1)N/N=C/c1ccc(cc1)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(23-7-3-1-4-8-23)33-26(17-22-13-16-27-28(18-22)39-20-38-27)30(36)34-32-19-21-11-14-25(15-12-21)40-31(37)24-9-5-2-6-10-24/h1-19H,20H2,(H,33,35)(H,34,36)/b26-17+,32-19+
InChIKey
XKQAUNBREPDMTB-LLIMICRDSA-N
Synonyms

(4((E)(((E)2benzamido3(13benzodioxol5yl)prop2enoyl)hydrazinylidene)methyl)phenyl)benzoate
4((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=C(C=C3)OC(=O)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5
InChI=1SC31H23N3O6c3529(237314823)3326(172213162728(1822)39203827)30(36)34321921111425(151221)4031(37)2495261024h119H20H2(H3335)(H3436)b2617+3219+
MFCD13370496
O=C(C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1)NN=Cc1ccc(cc1)OC(=O)c1ccccc1
ZINC000003092009
ZINC102275966

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Available files

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