Vitas-M small molecule compound

N-{2-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl}-2,3,4a,8a-tetrahydro-1,4-benzodioxine-6-carboxamide (non-preferred name)

Catalog ID
STK083104
SMILES O=C(CNC(=O)C1=CC2C(C=C1)OCCO2)N/N=C/c1ccc2c(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 C19H19N3O6 MW 385.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O6/c23-18(22-21-9-12-1-3-15-16(7-12)28-11-27-15)10-20-19(24)13-2-4-14-17(8-13)26-6-5-25-14/h1-4,7-9,14,17H,5-6,10-11H2,(H,20,24)(H,22,23)/b21-9+
InChIKey
KSPOAWJTNCHEEY-ZVBGSRNCSA-N
Synonyms

C1COC2C=C(C=CC2O1)C(=O)NCC(=O)NN=CC3=CC4=C(C=C3)OCO4
InChI=1SC19H19N3O6c2318(2221912131516(712)28112715)102019(24)13241417(813)26652514h14791417H561011H2(H2024)(H2223)b219+
MFCD09960083
N(2((2E)2(13benzodioxol5ylmethylidene)hydrazinyl)2oxoethyl)234a8atetrahydro14benzodioxine6carboxamide
N(2((2E)2(13BENZODIOXOL5YLMETHYLIDENE)HYDRAZINYL)2OXOETHYL)234A8ATETRAHYDRO14BENZODIOXINE6CARBOXAMIDE(NONPREFERREDNAME)
O=C(CNC(=O)C1=CC2C(C=C1)OCCO2)NN=Cc1ccc2c(c1)OCO2
STK083104
ZINC000013893477
ZINC000013893486

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Available files

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