Vitas-M small molecule compound
2-(4-bromophenyl)-5-methyl-5-propyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Catalog ID
STL191955
SMILES CCCC1(C)Oc2ccccc2C2N1N=C(C2)c1ccc(cc1)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 C20H21BrN2O MW 385.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21BrN2O/c1-3-12-20(2)23-18(16-6-4-5-7-19(16)24-20)13-17(22-23)14-8-10-15(21)11-9-14/h4-11,18H,3,12-13H2,1-2H3InChIKey
KEKGRYUAMWIIKX-UHFFFAOYSA-NSynonyms
2(4bromophenyl)5methyl5propyl110bdihydropyrazolo(15c)(13)benzoxazine
CCCC1(N2C(CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4O1)C
InChI=1SC20H21BrN2Oc131220(2)2318(16645719(16)2420)1317(2223)1481015(21)11914h41118H31213H212H3
MFCD22390466
ZINC000072332665
ZINC000106937376
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