Vitas-M small molecule compound
N-[3-methyl-1-(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)-1-oxobutan-2-yl]benzamide
Catalog ID
STK590364
SMILES CC(C(C(=O)N1CCc2c(C1C)cc1c(c2)OCCCO1)NC(=O)c1ccccc1)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 C25H30N2O4 MW 422.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O4/c1-16(2)23(26-24(28)18-8-5-4-6-9-18)25(29)27-11-10-19-14-21-22(15-20(19)17(27)3)31-13-7-12-30-21/h4-6,8-9,14-17,23H,7,10-13H2,1-3H3,(H,26,28)InChIKey
ZCOTVMAFEAMFHG-UHFFFAOYSA-NSynonyms
1009055-49-51009055495
CC((C@H)(C(=O)N1CCc2c(C1C)cc1c(c2)OCCCO1)NC(=O)c1ccccc1)C
CC1C2=CC3=C(C=C2CCN1C(=O)C(C(C)C)NC(=O)C4=CC=CC=C4)OCCCO3
InChI=1SC25H30N2O4c116(2)23(2624(28)188546918)25(29)27111019142122(1520(19)17(27)3)31137123021h4689141723H71013H213H3(H2628)
MFCD07640196
N((2R)3methyl1(7methyl34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)1oxobutan2yl)benzamide
N(3methyl1(7methyl2347910hexahydro(14)dioxepino(23g)isoquinolin8yl)1oxobutan2yl)benzamide
N(3methyl1(7methyl34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)1oxobutan2yl)benzamide
ZINC000005450748
ZINC000005450751
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