Vitas-M small molecule compound
1-[9'-bromo-2'-(thiophen-2-yl)-1',10b'-dihydro-1H-spiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-1-yl]ethanone
Catalog ID
STK844788
SMILES Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCN(CC1)C(=O)C)c1cccs1
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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 C20H20BrN3O2S MW 446.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrN3O2S/c1-13(25)23-8-6-20(7-9-23)24-17(12-16(22-24)19-3-2-10-27-19)15-11-14(21)4-5-18(15)26-20/h2-5,10-11,17H,6-9,12H2,1H3InChIKey
DCJREUJXFBEADT-UHFFFAOYSA-NSynonyms
840462-13-71(9bromo2(thiophen2yl)110bdihydro1Hspiro(piperidine45pyrazolo(15c)(13)benzoxazin)1yl)ethanone
1(9BROMO2(THIOPHEN2YL)110BDIHYDROSPIRO(BENZO(E)PYRAZOLO(15C)(13)OXAZINE54PIPERIDIN)1YL)ETHANONE
1(9BROMO2THIOPHEN2YLSPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE54PIPERIDINE)1YL)ETHANONE
840462137
CC(=O)N1CCC2(CC1)N3C(CC(=N3)C4=CC=CS4)C5=C(O2)C=CC(=C5)Br
InChI=1SC20H20BrN3O2Sc113(25)238620(7923)2417(1216(2224)1932102719)151114(21)4518(15)2620h25101117H6912H21H3
MFCD04004461
ZINC000010214273
ZINC000010214274
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