Vitas-M small molecule compound

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

Catalog ID
STK554069
SMILES COc1cccc2c1OC1(CCN(CC1)Cc1ccccc1)N1C2CC(=N1)c1cc(C)ccc1C

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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 C30H33N3O2 MW 467.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N3O2/c1-21-12-13-22(2)25(18-21)26-19-27-24-10-7-11-28(34-3)29(24)35-30(33(27)31-26)14-16-32(17-15-30)20-23-8-5-4-6-9-23/h4-13,18,27H,14-17,19-20H2,1-3H3
InChIKey
DVFUTYABNNCWPA-UHFFFAOYSA-N
Synonyms
840470-54-4
1benzyl2(25dimethylphenyl)7methoxy110bdihydrospiro(benzo(e)pyrazolo(15c)(13)oxazine54piperidine)
1benzyl2(25dimethylphenyl)7methoxy110bdihydrospiro(piperidine45pyrazolo(15c)(13)benzoxazine)
1BENZYL2(25DIMETHYLPHENYL)7METHOXYSPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE54PIPERIDINE)
840470544
CC1=CC(=C(C=C1)C)C2=NN3C(C2)C4=C(C(=CC=C4)OC)OC35CCN(CC5)CC6=CC=CC=C6
InChI=1SC30H33N3O2c121121322(2)25(1821)261927241071128(343)29(24)3530(33(27)3126)141632(171530)20238546923h4131827H14171920H213H3
MFCD04005150
ZINC000009087596
ZINC000009087597

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.