Vitas-M small molecule compound
ethyl 2'-(2,3-dihydro-1,4-benzodioxin-6-yl)-1',10b'-dihydro-1H-spiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]-1-carboxylate
Catalog ID
STL112551
SMILES CCOC(=O)N1CCC2(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 C25H27N3O5 MW 449.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O5/c1-2-30-24(29)27-11-9-25(10-12-27)28-20(18-5-3-4-6-21(18)33-25)16-19(26-28)17-7-8-22-23(15-17)32-14-13-31-22/h3-8,15,20H,2,9-14,16H2,1H3InChIKey
ZOMBCUNDSQMNQA-UHFFFAOYSA-NSynonyms
CCOC(=O)N1CCC2(CC1)N3C(CC(=N3)C4=CC5=C(C=C4)OCCO5)C6=CC=CC=C6O2
ethyl2(23dihydro14benzodioxin6yl)110bdihydro1Hspiro(piperidine45pyrazolo(15c)(13)benzoxazine)1carboxylate
ethyl2(23dihydro14benzodioxin6yl)spiro(110bdihydropyrazolo(15c)(13)benzoxazine54piperidine)1carboxylate
InChI=1SC25H27N3O5c123024(29)2711925(101227)2820(18534621(18)3325)1619(2628)17782223(1517)3214133122h381520H291416H21H3
MFCD19104936
ZINC000067172417
ZINC000067172418
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