Vitas-M small molecule compound
9'-bromo-1-(methylsulfonyl)-2'-(pyridin-3-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STK993438
SMILES Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCN(CC1)S(=O)(=O)C)c1cccnc1
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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 C20H21BrN4O3S MW 477.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21BrN4O3S/c1-29(26,27)24-9-6-20(7-10-24)25-18(16-11-15(21)4-5-19(16)28-20)12-17(23-25)14-3-2-8-22-13-14/h2-5,8,11,13,18H,6-7,9-10,12H2,1H3InChIKey
RTZMJPHDCMELFN-UHFFFAOYSA-NSynonyms
9bromo1(methylsulfonyl)2(pyridin3yl)110bdihydrospiro(piperidine45pyrazolo(15c)(13)benzoxazine)
9bromo1methylsulfonyl2pyridin3ylspiro(110bdihydropyrazolo(15c)(13)benzoxazine54piperidine)
CS(=O)(=O)N1CCC2(CC1)N3C(CC(=N3)C4=CN=CC=C4)C5=C(O2)C=CC(=C5)Br
InChI=1SC20H21BrN4O3Sc129(2627)249620(71024)2518(161115(21)4519(16)2820)1217(2325)14328221314h258111318H6791012H21H3
MFCD18184874
ZINC000051329970
ZINC000051329972
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