Vitas-M small molecule compound

N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-3,5-dimethylbenzamide

Catalog ID
STK243037
SMILES S=C(NC(=O)c1cc(C)cc(c1)C)Nc1ccc2c(c1)OCCO2

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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 C18H18N2O3S MW 342.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O3S/c1-11-7-12(2)9-13(8-11)17(21)20-18(24)19-14-3-4-15-16(10-14)23-6-5-22-15/h3-4,7-10H,5-6H2,1-2H3,(H2,19,20,21,24)
InChIKey
DLXMVFLSRXMKFA-UHFFFAOYSA-N
Synonyms

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OCCO3)C
InChI=1SC18H18N2O3Sc111712(2)913(811)17(21)2018(24)1914341516(1014)23652215h34710H56H212H3(H219202124)
MFCD05129396
N((23DIHYDRO14BENZODIOXIN6YLAMINO)CARBONOTHIOYL)35DIMETHYLBENZAMIDE
N(23DIHYDRO14BENZODIOXIN6YLCARBAMOTHIOYL)35DIMETHYLBENZAMIDE
ZINC000000588395
ZINC00588395
ZINC588395

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Available files

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