Vitas-M small molecule compound

N-(2-{(2Z)-2-[1-(1,3-benzodioxol-5-ylmethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]hydrazinyl}-2-oxoethyl)-4-tert-butylbenzamide (non-preferred name)

Catalog ID
STK824196
SMILES O=C(N/N=C\1/c2ccccc2N(C1=O)Cc1ccc2c(c1)OCO2)CNC(=O)c1ccc(cc1)C(C)(C)C

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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 C29H28N4O5 MW 512.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O5/c1-29(2,3)20-11-9-19(10-12-20)27(35)30-15-25(34)31-32-26-21-6-4-5-7-22(21)33(28(26)36)16-18-8-13-23-24(14-18)38-17-37-23/h4-14H,15-17H2,1-3H3,(H,30,35)(H,31,34)/b32-26-
InChIKey
OGDXKCKPBFNUNI-FSRJSHLRSA-N
Synonyms

(Z)N(2(2(1(benzo(d)(13)dioxol5ylmethyl)2oxoindolin3ylidene)hydrazinyl)2oxoethyl)4(tertbutyl)benzamide
CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)NN=C2C3=CC=CC=C3N(C2=O)CC4=CC5=C(C=C4)OCO5
InChI=1SC29H28N4O5c129(23)2011919(101220)27(35)301525(34)31322621645722(21)33(28(26)36)16188132324(1418)38173723h414H1517H213H3(H3035)(H3134)b3226
MFCD01958101
N(2((2Z)2(1(13benzodioxol5ylmethyl)2oxo12dihydro3Hindol3ylidene)hydrazinyl)2oxoethyl)4tertbutylbenzamide(nonpreferredname)
N(2((2Z)2(1(13benzodioxol5ylmethyl)2oxoindol3ylidene)hydrazinyl)2oxoethyl)4tertbutylbenzamide
O=C(NN=C1c2ccccc2N(C1=O)Cc1ccc2c(c1)OCO2)CNC(=O)c1ccc(cc1)C(C)(C)C
ZINC000009348942
ZINC100073744

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Available files

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