Vitas-M small molecule compound
9-bromo-5-(2-chloro-6-fluorophenyl)-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Catalog ID
STL191970
SMILES Brc1ccc2c(c1)C1CC(=NN1C(O2)c1c(F)cccc1Cl)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 C20H13BrClFN2OS MW 463.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13BrClFN2OS/c21-11-6-7-17-12(9-11)16-10-15(18-5-2-8-27-18)24-25(16)20(26-17)19-13(22)3-1-4-14(19)23/h1-9,16,20H,10H2InChIKey
NVGSMHKVDLNIGS-UHFFFAOYSA-NSynonyms
9bromo5(2chloro6fluorophenyl)2(thiophen2yl)110bdihydropyrazolo(15c)(13)benzoxazine
9bromo5(2chloro6fluorophenyl)2thiophen2yl510bdihydro1Hpyrazolo(15c)(13)benzoxazine
C1C2C3=C(C=CC(=C3)Br)OC(N2N=C1C4=CC=CS4)C5=C(C=CC=C5Cl)F
InChI=1SC20H13BrClFN2OSc2111671712(911)161015(185282718)2425(16)20(2617)1913(22)31414(19)23h191620H10H2
MFCD22390473
ZINC000072332681
ZINC000226982571
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