Vitas-M small molecule compound
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium
Catalog ID
STL265717
SMILES CCc1ccc(cc1)[n+]1cc(n2c1CCCCC2)c1ccc2c(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 C24H27N2O2 MW 375.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N2O2/c1-2-18-7-10-20(11-8-18)26-17-21(25-13-5-3-4-6-24(25)26)19-9-12-22-23(16-19)28-15-14-27-22/h7-12,16-17H,2-6,13-15H2,1H3/q+1InChIKey
AYRLCAWWUZNGLO-UHFFFAOYSA-NSynonyms
3(23dihydro14benzodioxin6yl)1(4ethylphenyl)6789tetrahydro5Himidazo(12a)azepin1ium
3(23dihydro14benzodioxin6yl)1(4ethylphenyl)6789tetrahydro5Himidazo(12a)azepin4ium
CCC1=CC=C(C=C1)N2C=C((N+)3=C2CCCCC3)C4=CC5=C(C=C4)OCCO5
CCc1ccc(cc1)(n+)1cc(n2c1CCCCC2)c1ccc2c(c1)OCCO2
InChI=1SC24H27N2O2c121871020(11818)261721(2513534624(25)26)199122223(1619)2815142722h7121617H261315H21H3q+1
ZINC000002684404
ZINC02684404
ZINC2684404
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