Vitas-M small molecule compound
9-bromo-2-(3,4-dimethoxyphenyl)-5-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Catalog ID
STL191963
SMILES COc1ccc(cc1OC)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 C22H19BrN2O3S MW 471.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrN2O3S/c1-26-19-7-5-13(10-20(19)27-2)16-12-17-15-11-14(23)6-8-18(15)28-22(25(17)24-16)21-4-3-9-29-21/h3-11,17,22H,12H2,1-2H3InChIKey
OWENNRKZOWIXNV-UHFFFAOYSA-NSynonyms
9bromo2(34dimethoxyphenyl)5(thiophen2yl)110bdihydropyrazolo(15c)(13)benzoxazine
9bromo2(34dimethoxyphenyl)5thiophen2yl510bdihydro1Hpyrazolo(15c)(13)benzoxazine
COC1=C(C=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC3C5=CC=CS5)OC
InChI=1SC22H19BrN2O3Sc126197513(1020(19)272)161217151114(23)6818(15)2822(25(17)2416)214392921h3111722H12H212H3
MFCD02676274
ZINC000048524606
ZINC000248137595
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