Vitas-M small molecule compound
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-3-one
Catalog ID
STK973340
SMILES O=C1/C(=C/c2ccc3c(c2)OCO3)/N=C2N1CCCCC2
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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 C16H16N2O3 MW 284.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O3/c19-16-12(17-15-4-2-1-3-7-18(15)16)8-11-5-6-13-14(9-11)21-10-20-13/h5-6,8-9H,1-4,7,10H2/b12-8-InChIKey
UPYBEVNNQTZKOS-WQLSENKSSA-NSynonyms
(2Z)2(13benzodioxol5ylmethylidene)256789hexahydro3Himidazo(12a)azepin3one
(2Z)2(13benzodioxol5ylmethylidene)6789tetrahydro5Himidazo(12a)azepin3one
C1CCC2=NC(=CC3=CC4=C(C=C3)OCO4)C(=O)N2CC1
InChI=1SC16H16N2O3c191612(17154213718(15)16)811561314(911)21102013h5689H14710H2b128
MFCD02252225
O=C1C(=Cc2ccc3c(c2)OCO3)N=C2N1CCCCC2
ZINC000000239730
ZINC00239730
ZINC239730
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