Vitas-M small molecule compound
9'-bromo-2'-(5-bromothiophen-2-yl)-1-(propan-2-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STL005595
SMILES Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCN(CC1)C(C)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 C21H23Br2N3OS MW 525.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23Br2N3OS/c1-13(2)25-9-7-21(8-10-25)26-17(15-11-14(22)3-4-18(15)27-21)12-16(24-26)19-5-6-20(23)28-19/h3-6,11,13,17H,7-10,12H2,1-2H3InChIKey
SGDVRVNYSAPEBY-UHFFFAOYSA-NSynonyms
896848-60-5896848605
9bromo2(5bromothiophen2yl)1(propan2yl)110bdihydrospiro(piperidine45pyrazolo(15c)(13)benzoxazine)
9bromo2(5bromothiophen2yl)1isopropyl110bdihydrospiro(benzo(e)pyrazolo(15c)(13)oxazine54piperidine)
9BROMO2(5BROMOTHIOPHEN2YL)1PROPAN2YLSPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE54PIPERIDINE)
CC(C)N1CCC2(CC1)N3C(CC(=N3)C4=CC=C(S4)Br)C5=C(O2)C=CC(=C5)Br
InChI=1SC21H23Br2N3OSc113(2)259721(81025)2617(151114(22)3418(15)2721)1216(2426)195620(23)2819h36111317H71012H212H3
MFCD06602773
ZINC000097956242
ZINC000097956243
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