Vitas-M small molecule compound
2'-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STL112550
SMILES CCC1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)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 C25H28N2O3 MW 404.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O3/c1-2-17-9-11-25(12-10-17)27-21(19-5-3-4-6-22(19)30-25)16-20(26-27)18-7-8-23-24(15-18)29-14-13-28-23/h3-8,15,17,21H,2,9-14,16H2,1H3InChIKey
VAKLUAPIYLOGJV-UHFFFAOYSA-NSynonyms
2(23dihydro14benzodioxin6yl)4ethyl110bdihydrospiro(cyclohexane15pyrazolo(15c)(13)benzoxazine)
2(23dihydro14benzodioxin6yl)4ethylspiro(110bdihydropyrazolo(15c)(13)benzoxazine51cyclohexane)
CCC1CCC2(CC1)N3C(CC(=N3)C4=CC5=C(C=C4)OCCO5)C6=CC=CC=C6O2
InChI=1SC25H28N2O3c121791125(121017)2721(19534622(19)3025)1620(2627)18782324(1518)2914132823h38151721H291416H21H3
MFCD20746971
ZINC000067321572
ZINC000067321576
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