Vitas-M small molecule compound
(2Z)-1-(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)ethanone
Catalog ID
STK595016
SMILES O=C(c1cc(Br)c2c(c1)OCCO2)/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 C20H16BrNO5 MW 430.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrNO5/c21-14-5-12(7-19-20(14)25-4-3-24-19)16(23)9-15-13-8-18-17(26-10-27-18)6-11(13)1-2-22-15/h5-9,22H,1-4,10H2/b15-9-InChIKey
DZNKQAOZBZWWLV-DHDCSXOGSA-NSynonyms
898921-51-2(2Z)1(5bromo23dihydro14benzodioxin7yl)2(78dihydro6H(13)dioxolo(45g)isoquinolin5ylidene)ethanone
(2Z)1(8bromo23dihydro14benzodioxin6yl)2(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)ethanone
(Z)1(8bromo23dihydrobenzo(b)(14)dioxin6yl)2(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)ethanone
898921512
C1CNC(=CC(=O)C2=CC3=C(C(=C2)Br)OCCO3)C4=CC5=C(C=C41)OCO5
InChI=1SC20H16BrNO5c2114512(71920(14)25432419)16(23)9151381817(26102718)611(13)122215h5922H1410H2b159
MFCD07639731
O=C(c1cc(Br)c2c(c1)OCCO2)C=C1NCCc2c1cc1OCOc1c2
ZINC000013591299
ZINC13591299
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