Vitas-M small molecule compound
(1Z)-3-(4-chlorophenoxy)-1-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)butan-2-one
Catalog ID
STK596164
SMILES O=C(C(Oc1ccc(cc1)Cl)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 C20H18ClNO4 MW 371.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClNO4/c1-12(26-15-4-2-14(21)3-5-15)18(23)10-17-16-9-20-19(24-11-25-20)8-13(16)6-7-22-17/h2-5,8-10,12,22H,6-7,11H2,1H3/b17-10-InChIKey
UJCGBDPJLSMZIE-YVLHZVERSA-NSynonyms
883951-58-4(1Z)3(4chlorophenoxy)1(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)butan2one
(1Z)3(4chlorophenoxy)1(78dihydro6H(13)dioxolo(45g)isoquinolin5ylidene)butan2one
(Z)3(4chlorophenoxy)1(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)butan2one
883951584
CC(C(=O)C=C1C2=CC3=C(C=C2CCN1)OCO3)OC4=CC=C(C=C4)Cl
InChI=1SC20H18ClNO4c112(26154214(21)3515)18(23)10171692019(24112520)813(16)672217h258101222H6711H21H3b1710
MFCD07640274
O=C(C(Oc1ccc(cc1)Cl)C)C=C1NCCc2c1cc1OCOc1c2
ZINC000005450821
ZINC000005450822
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