Vitas-M small molecule compound
(2Z,3E)-N-hydroxy-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-imine
Catalog ID
STL565990
SMILES O/N=C(/CC1N(C)CCc2c1c(OC)c1c(c2)OCO1)\C=C\C1C(=CCCC1(C)C)C
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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 C25H34N2O4 MW 426.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H34N2O4/c1-16-7-6-11-25(2,3)19(16)9-8-18(26-28)14-20-22-17(10-12-27(20)4)13-21-23(24(22)29-5)31-15-30-21/h7-9,13,19-20,28H,6,10-12,14-15H2,1-5H3/b9-8+,26-18+InChIKey
SVSPODGIYWQUSW-JHNGNNMESA-NSynonyms
(2Z)1(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)4(266trimethylcyclohex2en1yl)but3en2oneoxime
(2Z3E)Nhydroxy1(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)4(266trimethylcyclohex2en1yl)but3en2imine
(NZ)N((E)1(4methoxy6methyl78dihydro5H(13)dioxolo(45g)isoquinolin5yl)4(266trimethylcyclohex2en1yl)but3en2ylidene)hydroxylamine
42648567
InChI=1SC25H34N2O4c116761125(23)19(16)9818(2628)14202217(101227(20)4)132123(24(22)295)31153021h7913192028H610121415H215H3b98+2618+
ON=C(CC1N(C)CCc2c1c(OC)c1c(c2)OCO1)C=CC1C(=CCCC1(C)C)C
ZINC000036368126
ZINC000097972111
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