Vitas-M small molecule compound
2'-(2,3-dihydro-1,4-benzodioxin-6-yl)-7'-methoxy-1-propyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STK553886
SMILES CCCN1CCC2(CC1)Oc1c(OC)cccc1C1N2N=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 C26H31N3O4 MW 449.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O4/c1-3-11-28-12-9-26(10-13-28)29-21(19-5-4-6-23(30-2)25(19)33-26)17-20(27-29)18-7-8-22-24(16-18)32-15-14-31-22/h4-8,16,21H,3,9-15,17H2,1-2H3InChIKey
ROEGVQQTARXSQJ-UHFFFAOYSA-NSynonyms
840464-31-52(23dihydro14benzodioxin6yl)7methoxy1propyl110bdihydrospiro(piperidine45pyrazolo(15c)(13)benzoxazine)
2(23DIHYDRO14BENZODIOXIN6YL)7METHOXY1PROPYLSPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE54PIPERIDINE)
2(23dihydrobenzo(b)(14)dioxin6yl)7methoxy1propyl110bdihydrospiro(benzo(e)pyrazolo(15c)(13)oxazine54piperidine)
840464315
CCCN1CCC2(CC1)N3C(CC(=N3)C4=CC5=C(C=C4)OCCO5)C6=C(O2)C(=CC=C6)OC
InChI=1SC26H31N3O4c13112812926(101328)2921(1954623(302)25(19)3326)1720(2729)18782224(1618)3215143122h481621H391517H212H3
MFCD04004891
ZINC000009360116
ZINC000009360120
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