Vitas-M small molecule compound
methyl 3-(1,3-benzodioxol-5-yl)-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-8-carboxylate
Catalog ID
STL192612
SMILES COC(=O)c1ccc2c(c1)C1NC(=O)N(C(O2)(C1)C)c1ccc2c(c1)OCO2
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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 C20H18N2O6 MW 382.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O6/c1-20-9-14(13-7-11(18(23)25-2)3-5-15(13)28-20)21-19(24)22(20)12-4-6-16-17(8-12)27-10-26-16/h3-8,14H,9-10H2,1-2H3,(H,21,24)InChIKey
IEKOREVTFGEISQ-UHFFFAOYSA-NSynonyms
CC12CC(C3=C(O1)C=CC(=C3)C(=O)OC)NC(=O)N2C4=CC5=C(C=C4)OCO5
InChI=1SC20H18N2O6c120914(13711(18(23)252)3515(13)2820)2119(24)22(20)12461617(812)27102616h3814H910H212H3(H2124)
methyl3(13benzodioxol5yl)2methyl4oxo3456tetrahydro2H26methano135benzoxadiazocine8carboxylate
MFCD22390767
ZINC000072333291
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Check stock on Vitas-MAvailable files
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