Vitas-M small molecule compound

(2E)-N-(2-{(2Z)-2-[1-(1,3-benzodioxol-5-ylmethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]hydrazinyl}-2-oxoethyl)-3-(2-methoxyphenyl)prop-2-enamide (non-preferred name)

Catalog ID
STK707899
SMILES COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C\1/c2ccccc2N(C1=O)Cc1ccc2c(c1)OCO2

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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 C28H24N4O6 MW 512.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N4O6/c1-36-22-9-5-2-6-19(22)11-13-25(33)29-15-26(34)30-31-27-20-7-3-4-8-21(20)32(28(27)35)16-18-10-12-23-24(14-18)38-17-37-23/h2-14H,15-17H2,1H3,(H,29,33)(H,30,34)/b13-11+,31-27-
InChIKey
TVCKTSHZNWGBRE-BSGRSYFISA-N
Synonyms

(2E)N(2((2Z)2(1(13benzodioxol5ylmethyl)2oxo12dihydro3Hindol3ylidene)hydrazinyl)2oxoethyl)3(2methoxyphenyl)prop2enamide(nonpreferredname)
(E)N(2((2Z)2(1(13BENZODIOXOL5YLMETHYL)2OXOINDOL3YLIDENE)HYDRAZINYL)2OXOETHYL)3(2METHOXYPHENYL)PROP2ENAMIDE
(E)N(2((Z)2(1(benzo(d)(13)dioxol5ylmethyl)2oxoindolin3ylidene)hydrazinyl)2oxoethyl)3(2methoxyphenyl)acrylamide
COC1=CC=CC=C1C=CC(=O)NCC(=O)NN=C2C3=CC=CC=C3N(C2=O)CC4=CC5=C(C=C4)OCO5
COc1ccccc1C=CC(=O)NCC(=O)NN=C1c2ccccc2N(C1=O)Cc1ccc2c(c1)OCO2
InChI=1SC28H24N4O6c13622952619(22)111325(33)291526(34)30312720734821(20)32(28(27)35)161810122324(1418)38173723h214H1517H21H3(H2933)(H3034)b1311+3127
MFCD01952994
ZINC000002286196
ZINC100315550

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.