Vitas-M small molecule compound
N'-{(E)-[6-(2-chloropropyl)-4,7-dimethoxy-1,3-benzodioxol-5-yl]methylidene}-3-nitrobenzohydrazide
Catalog ID
STK693186
SMILES COc1c(/C=N/NC(=O)c2cccc(c2)[N+](=O)[O-])c(CC(Cl)C)c(c2c1OCO2)OC
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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 C20H20ClN3O7 MW 449.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN3O7/c1-11(21)7-14-15(17(29-3)19-18(16(14)28-2)30-10-31-19)9-22-23-20(25)12-5-4-6-13(8-12)24(26)27/h4-6,8-9,11H,7,10H2,1-3H3,(H,23,25)/b22-9+InChIKey
QGAXRGGGDKOMCG-LSFURLLWSA-NSynonyms
CC(CC1=C(C(=C2C(=C1OC)OCO2)OC)C=NNC(=O)C3=CC(=CC=C3)(N+)(=O)(O))Cl
COc1c(C=NNC(=O)c2cccc(c2)(N+)(=O)(O))c(CC(Cl)C)c(c2c1OCO2)OC
InChI=1SC20H20ClN3O7c111(21)71415(17(293)1918(16(14)282)30103119)9222320(25)1254613(812)24(26)27h468911H710H213H3(H2325)b229+
MFCD10039257
N((E)(6(2chloropropyl)47dimethoxy13benzodioxol5yl)methylidene)3nitrobenzohydrazide
N((E)(6(2chloropropyl)47dimethoxy13benzodioxol5yl)methylideneamino)3nitrobenzamide
ZINC000015086099
ZINC000015086101
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