Vitas-M small molecule compound

2'-(1,3-benzodioxol-5-yl)-1-benzyl-7'-methoxy-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]

Catalog ID
STK543670
SMILES COc1cccc2c1OC1(CCN(CC1)Cc1ccccc1)N1C2CC(=N1)c1ccc2c(c1)OCO2

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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 C29H29N3O4 MW 483.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O4/c1-33-26-9-5-8-22-24-17-23(21-10-11-25-27(16-21)35-19-34-25)30-32(24)29(36-28(22)26)12-14-31(15-13-29)18-20-6-3-2-4-7-20/h2-11,16,24H,12-15,17-19H2,1H3
InChIKey
HECHHTRJLGCOQB-UHFFFAOYSA-N
Synonyms
500146-78-1
2(13benzodioxol5yl)1benzyl7methoxy110bdihydrospiro(piperidine45pyrazolo(15c)(13)benzoxazine)
2(13BENZODIOXOL5YL)1BENZYL7METHOXYSPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE54PIPERIDINE)
2(benzo(d)(13)dioxol5yl)1benzyl7methoxy110bdihydrospiro(benzo(e)pyrazolo(15c)(13)oxazine54piperidine)
500146781
COC1=CC=CC2=C1OC3(CCN(CC3)CC4=CC=CC=C4)N5C2CC(=N5)C6=CC7=C(C=C6)OCO7
InChI=1SC29H29N3O4c1332695822241723(2110112527(1621)35193425)3032(24)29(3628(22)26)121431(151329)18206324720h2111624H12151719H21H3
MFCD03304609
ZINC000009065398
ZINC000009065400

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Available files

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