Vitas-M small molecule compound
1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone
Catalog ID
STL000415
SMILES COc1c2c(CCN(C2CC(=O)c2c(C)c([N+](=O)[O-])c(c(c2C)[N+](=O)[O-])C(C)(C)C)C)cc2c1OCO2
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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 C26H31N3O8 MW 513.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O8/c1-13-19(14(2)23(29(33)34)21(26(3,4)5)22(13)28(31)32)17(30)11-16-20-15(8-9-27(16)6)10-18-24(25(20)35-7)37-12-36-18/h10,16H,8-9,11-12H2,1-7H3InChIKey
CTINTHRDYNWNKQ-UHFFFAOYSA-NSynonyms
858763-52-71(4(tertbutyl)26dimethyl35dinitrophenyl)2(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)ethanone
1(4tertbutyl26dimethyl35dinitrophenyl)2(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)ethanone
1(4TERTBUTYL26DIMETHYL35DINITROPHENYL)2(4METHOXY6METHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN5YL)ETHANONE
858763527
CC1=C(C(=C(C(=C1(N+)(=O)(O))C(C)(C)C)(N+)(=O)(O))C)C(=O)CC2C3=C(C4=C(C=C3CCN2C)OCO4)OC
COc1c2c(CCN(C2CC(=O)c2c(C)c((N+)(=O)(O))c(c(c2C)(N+)(=O)(O))C(C)(C)C)C)cc2c1OCO2
InChI=1SC26H31N3O8c11319(14(2)23(29(33)34)21(26(34)5)22(13)28(31)32)17(30)11162015(8927(16)6)101824(25(20)357)37123618h1016H891112H217H3
MFCD03005800
ZINC000020411458
ZINC000020411460
Check stock
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Check stock on Vitas-MAvailable files
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