Vitas-M small molecule compound

N'-[(E)-(1-benzyl-2-methyl-1H-indol-3-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide

Catalog ID
STK745174
SMILES O=C(c1ccc2c(c1)OCCO2)N/N=C/c1c(C)n(c2c1cccc2)Cc1ccccc1

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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 C26H23N3O3 MW 425.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O3/c1-18-22(16-27-28-26(30)20-11-12-24-25(15-20)32-14-13-31-24)21-9-5-6-10-23(21)29(18)17-19-7-3-2-4-8-19/h2-12,15-16H,13-14,17H2,1H3,(H,28,30)/b27-16+
InChIKey
HATYPMBEYVOTFQ-JVWAILMASA-N
Synonyms

CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)C=NNC(=O)C4=CC5=C(C=C4)OCCO5
InChI=1SC26H23N3O3c11822(16272826(30)2011122425(1520)3214133124)219561023(21)29(18)17197324819h2121516H131417H21H3(H2830)b2716+
MFCD00289203
N((1benzyl2methyl1Hindol3yl)methylene)23dihydrobenzo(b)(14)dioxine6carbohydrazide
N((E)(1benzyl2methyl1Hindol3yl)methylidene)23dihydro14benzodioxine6carbohydrazide
N((E)(1BENZYL2METHYLINDOL3YL)METHYLIDENEAMINO)23DIHYDRO14BENZODIOXINE6CARBOXAMIDE
O=C(c1ccc2c(c1)OCCO2)NN=Cc1c(C)n(c2c1cccc2)Cc1ccccc1
ZINC000002296393
ZINC33352423

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Available files

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