Vitas-M small molecule compound
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-ethoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Catalog ID
STL192604
SMILES CCOc1cccc2c1OC1(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 C21H22N2O5 MW 382.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O5/c1-3-25-17-6-4-5-14-15-12-21(2,28-19(14)17)23(20(24)22-15)13-7-8-16-18(11-13)27-10-9-26-16/h4-8,11,15H,3,9-10,12H2,1-2H3,(H,22,24)InChIKey
TWYDKNLGTDZSAL-UHFFFAOYSA-NSynonyms
3(23dihydro14benzodioxin6yl)10ethoxy2methyl2356tetrahydro4H26methano135benzoxadiazocin4one
CCOC1=CC=CC2=C1OC3(CC2NC(=O)N3C4=CC5=C(C=C4)OCCO5)C
InChI=1SC21H22N2O5c13251764514151221(22819(14)17)23(20(24)2215)13781618(1113)271092616h481115H391012H212H3(H2224)
MFCD22390765
ZINC000101353132
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