Vitas-M small molecule compound
3-[(1,3-benzodioxol-5-ylmethyl)amino]-5-phenylcyclohex-2-en-1-one
Catalog ID
STK080391
SMILES O=C1C=C(NCc2ccc3c(c2)OCO3)CC(C1)c1ccccc1
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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 C20H19NO3 MW 321.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19NO3/c22-18-10-16(15-4-2-1-3-5-15)9-17(11-18)21-12-14-6-7-19-20(8-14)24-13-23-19/h1-8,11,16,21H,9-10,12-13H2InChIKey
ADNBYNXCQXXKSF-UHFFFAOYSA-NSynonyms
312626-63-43((13BENZODIOXOL5YLMETHYL)AMINO)5PHENYLCYCLOHEX2EN1ONE
3((2HBENZO(34D)13DIOXOLEN5YLMETHYL)AMINO)5PHENYLCYCLOHEX2EN1ONE
3((BENZO(13)DIOXOL5YLMETHYL)AMINO)5PHENYLCYCLOHEX2ENONE
3(13BENZODIOXOL5YLMETHYLAMINO)5PHENYLCYCLOHEX2EN1ONE
312626634
C1C(CC(=O)C=C1NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4
InChI=1SC20H19NO3c22181016(154213515)917(1118)211214671920(814)24132319h18111621H9101213H2
MFCD02086188
O=C1C=C(NCc2ccc3c(c2)OCO3)CC(C1)c1ccccc1
STK080391
ZINC000100618615
ZINC000100618617
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