Vitas-M small molecule compound
8-bromo-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-methoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Catalog ID
STL192646
SMILES COc1cc(Br)cc2c1OC1(C)CC2NC(=O)N1c1ccc2c(c1)OCCO2
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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 C20H19BrN2O5 MW 447.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN2O5/c1-20-10-14(13-7-11(21)8-17(25-2)18(13)28-20)22-19(24)23(20)12-3-4-15-16(9-12)27-6-5-26-15/h3-4,7-9,14H,5-6,10H2,1-2H3,(H,22,24)InChIKey
NRUYKHYXGLUXEZ-UHFFFAOYSA-NSynonyms
8bromo3(23dihydro14benzodioxin6yl)10methoxy2methyl2356tetrahydro4H26methano135benzoxadiazocin4one
CC12CC(C3=CC(=CC(=C3O1)OC)Br)NC(=O)N2C4=CC5=C(C=C4)OCCO5
InChI=1SC20H19BrN2O5c1201014(13711(21)817(252)18(13)2820)2219(24)23(20)12341516(912)27652615h347914H5610H212H3(H2224)
MFCD22390783
ZINC000101353028
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