Vitas-M small molecule compound
(2Z)-1-(4-tert-butylphenyl)-2-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)ethanone
Catalog ID
STK598759
SMILES O=C(c1ccc(cc1)C(C)(C)C)/C=C/1\NCCc2c1cc1OCOc1c2
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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 C22H23NO3 MW 349.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO3/c1-22(2,3)16-6-4-14(5-7-16)19(24)12-18-17-11-21-20(25-13-26-21)10-15(17)8-9-23-18/h4-7,10-12,23H,8-9,13H2,1-3H3/b18-12-InChIKey
BQYUYNSIHNXUBN-PDGQHHTCSA-NSynonyms
892638-65-2(2Z)1(4tertbutylphenyl)2(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)ethanone
(2Z)1(4tertbutylphenyl)2(78dihydro6H(13)dioxolo(45g)isoquinolin5ylidene)ethanone
(Z)1(4(tertbutyl)phenyl)2(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)ethanone
892638652
CC(C)(C)C1=CC=C(C=C1)C(=O)C=C2C3=CC4=C(C=C3CCN2)OCO4
InChI=1SC22H23NO3c122(23)166414(5716)19(24)121817112120(25132621)1015(17)892318h47101223H8913H213H3b1812
MFCD07639689
O=C(c1ccc(cc1)C(C)(C)C)C=C1NCCc2c1cc1OCOc1c2
ZINC000005428267
ZINC05428267
ZINC5428267
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