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-phenylprop-2-enamide (non-preferred name)
Catalog ID
STK707898
SMILES O=C(N/N=C\1/c2ccccc2N(C1=O)Cc1ccc2c(c1)OCO2)CNC(=O)/C=C/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 C27H22N4O5 MW 482.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O5/c32-24(13-11-18-6-2-1-3-7-18)28-15-25(33)29-30-26-20-8-4-5-9-21(20)31(27(26)34)16-19-10-12-22-23(14-19)36-17-35-22/h1-14H,15-17H2,(H,28,32)(H,29,33)/b13-11+,30-26-InChIKey
QJCOQGKFWICMTJ-FKOQYXLFSA-NSynonyms
(2E)N(2((2Z)2(1(13benzodioxol5ylmethyl)2oxo12dihydro3Hindol3ylidene)hydrazinyl)2oxoethyl)3phenylprop2enamide(nonpreferredname)
(E)N(2((2Z)2(1(13BENZODIOXOL5YLMETHYL)2OXOINDOL3YLIDENE)HYDRAZINYL)2OXOETHYL)3PHENYLPROP2ENAMIDE
C1OC2=C(O1)C=C(C=C2)CN3C4=CC=CC=C4C(=NNC(=O)CNC(=O)C=CC5=CC=CC=C5)C3=O
InChI=1SC27H22N4O5c3224(1311186213718)281525(33)29302620845921(20)31(27(26)34)161910122223(1419)36173522h114H1517H2(H2832)(H2933)b1311+3026
MFCD01950111
N(2((Z)2(1(benzo(d)(13)dioxol5ylmethyl)2oxoindolin3ylidene)hydrazinyl)2oxoethyl)cinnamamide
O=C(NN=C1c2ccccc2N(C1=O)Cc1ccc2c(c1)OCO2)CNC(=O)C=Cc1ccccc1
ZINC000002282543
ZINC2282541
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.