Vitas-M small molecule compound
2'-(1,3-benzodioxol-5-yl)-1-benzyl-9'-bromo-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STK543000
SMILES Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCN(CC1)Cc1ccccc1)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 C28H26BrN3O3 MW 532.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26BrN3O3/c29-21-7-9-25-22(15-21)24-16-23(20-6-8-26-27(14-20)34-18-33-26)30-32(24)28(35-25)10-12-31(13-11-28)17-19-4-2-1-3-5-19/h1-9,14-15,24H,10-13,16-18H2InChIKey
XGKHKSJTWOVSSY-UHFFFAOYSA-NSynonyms
488094-16-22(13benzodioxol5yl)1benzyl9bromo110bdihydrospiro(piperidine45pyrazolo(15c)(13)benzoxazine)
2(13BENZODIOXOL5YL)1BENZYL9BROMOSPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE54PIPERIDINE)
2(benzo(d)(13)dioxol5yl)1benzyl9bromo110bdihydrospiro(benzo(e)pyrazolo(15c)(13)oxazine54piperidine)
488094162
C1CN(CCC12N3C(CC(=N3)C4=CC5=C(C=C4)OCO5)C6=C(O2)C=CC(=C6)Br)CC7=CC=CC=C7
InChI=1SC28H26BrN3O3c2921792522(1521)241623(20682627(1420)34183326)3032(24)28(3525)101231(131128)17194213519h19141524H10131618H2
MFCD03288118
ZINC000097951451
ZINC000097951452
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