Vitas-M small molecule compound
1-[9'-bromo-2'-(5-bromothiophen-2-yl)-1',10b'-dihydro-1H-spiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-1-yl]ethanone
Catalog ID
STL035113
SMILES Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCN(CC1)C(=O)C)c1ccc(s1)Br
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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 C20H19Br2N3O2S MW 525.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19Br2N3O2S/c1-12(26)24-8-6-20(7-9-24)25-16(14-10-13(21)2-3-17(14)27-20)11-15(23-25)18-4-5-19(22)28-18/h2-5,10,16H,6-9,11H2,1H3InChIKey
QEXKGWQHSKMKCN-UHFFFAOYSA-NSynonyms
890096-74-91(9bromo2(5bromothiophen2yl)110bdihydro1Hspiro(piperidine45pyrazolo(15c)(13)benzoxazin)1yl)ethanone
1(9bromo2(5bromothiophen2yl)110bdihydrospiro(benzo(e)pyrazolo(15c)(13)oxazine54piperidin)1yl)ethanone
1(9BROMO2(5BROMOTHIOPHEN2YL)SPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE54PIPERIDINE)1YL)ETHANONE
890096749
CC(=O)N1CCC2(CC1)N3C(CC(=N3)C4=CC=C(S4)Br)C5=C(O2)C=CC(=C5)Br
InChI=1SC20H19Br2N3O2Sc112(26)248620(7924)2516(141013(21)2317(14)2720)1115(2325)184519(22)2818h251016H6911H21H3
MFCD18191985
ZINC000097951821
ZINC000097951822
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