Vitas-M small molecule compound
1-benzyl-9'-bromo-2'-(2,4-dimethoxyphenyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STK554498
SMILES COc1cc(OC)ccc1C1=NN2C(C1)c1cc(Br)ccc1OC12CCN(CC1)Cc1ccccc1
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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 C29H30BrN3O3 MW 548.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30BrN3O3/c1-34-22-9-10-23(28(17-22)35-2)25-18-26-24-16-21(30)8-11-27(24)36-29(33(26)31-25)12-14-32(15-13-29)19-20-6-4-3-5-7-20/h3-11,16-17,26H,12-15,18-19H2,1-2H3InChIKey
RRHZKBSJMFZBRD-UHFFFAOYSA-NSynonyms
840474-29-51benzyl9bromo2(24dimethoxyphenyl)110bdihydrospiro(benzo(e)pyrazolo(15c)(13)oxazine54piperidine)
1benzyl9bromo2(24dimethoxyphenyl)110bdihydrospiro(piperidine45pyrazolo(15c)(13)benzoxazine)
1BENZYL9BROMO2(24DIMETHOXYPHENYL)SPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE54PIPERIDINE)
840474295
COC1=CC(=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC35CCN(CC5)CC6=CC=CC=C6)OC
InChI=1SC29H30BrN3O3c1342291023(28(1722)352)251826241621(30)81127(24)3629(33(26)3125)121432(151329)19206435720h311161726H12151819H212H3
MFCD04005834
ZINC000097952637
ZINC000097952638
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