Vitas-M small molecule compound
9-bromo-2-(4-methylphenyl)-5-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Catalog ID
STK952661
SMILES Cc1ccc(cc1)C1=NN2C(C1)c1cc(Br)ccc1OC2c1cccs1
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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 C21H17BrN2OS MW 425.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN2OS/c1-13-4-6-14(7-5-13)17-12-18-16-11-15(22)8-9-19(16)25-21(24(18)23-17)20-3-2-10-26-20/h2-11,18,21H,12H2,1H3InChIKey
NBAXVZLVEBDJEJ-UHFFFAOYSA-NSynonyms
2(2BROMO9(4METHYLPHENYL)6H10AHBENZO(E)2PYRAZOLINO(15C)13OXAZIN6YL)THIOPHENE
9bromo2(4methylphenyl)5(thiophen2yl)110bdihydropyrazolo(15c)(13)benzoxazine
9BROMO2(4METHYLPHENYL)5THIOPHEN2YL510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZINE
CC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC3C5=CC=CS5
InChI=1SC21H17BrN2OSc1134614(7513)171218161115(22)8919(16)2521(24(18)2317)2032102620h2111821H12H21H3
MFCD01542725
ZINC000009600918
ZINC000245377593
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