Vitas-M small molecule compound
N-[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]-2-methyl-5-nitroaniline
Catalog ID
STL527084
SMILES COc1c2c(CCN(C2C#CCNc2cc(ccc2C)[N+](=O)[O-])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 C22H23N3O5 MW 409.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O5/c1-14-6-7-16(25(26)27)12-17(14)23-9-4-5-18-20-15(8-10-24(18)2)11-19-21(22(20)28-3)30-13-29-19/h6-7,11-12,18,23H,8-10,13H2,1-3H3InChIKey
AMKUVCVCDVYVOC-UHFFFAOYSA-NSynonyms
774601-22-8~(N)(3(4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin5yl)prop2ynyl)2methyl5nitroaniline
3302897
774601228
COc1c2c(CCN(C2C#CCNc2cc(ccc2C)(N+)(=O)(O))C)cc2c1OCO2
InChI=1SC22H23N3O5c1146716(25(26)27)1217(14)23945182015(81024(18)2)111921(22(20)283)30132919h6711121823H81013H213H3
MFCD03267000
N(3(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)prop2yn1yl)2methyl5nitroaniline
N(3(4METHOXY6METHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN5YL)PROP2YNYL)2METHYL5NITROANILINE
ZINC000020113339
ZINC000020113340
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