Vitas-M small molecule compound
9-bromo-5-(3-methoxyphenyl)-2-(5-methylthiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Catalog ID
STL111967
SMILES COc1cccc(c1)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc(s1)C)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 C22H19BrN2O2S MW 455.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrN2O2S/c1-13-6-9-21(28-13)18-12-19-17-11-15(23)7-8-20(17)27-22(25(19)24-18)14-4-3-5-16(10-14)26-2/h3-11,19,22H,12H2,1-2H3InChIKey
OBSCJLPCEMHXPS-UHFFFAOYSA-NSynonyms
1(2BROMO9(5METHYL(2THIENYL))(6H10AHBENZO(E)2PYRAZOLINO(15C)13OXAZIN6YL))3METHOXYBENZENE
9bromo5(3methoxyphenyl)2(5methylthiophen2yl)110bdihydropyrazolo(15c)(13)benzoxazine
9bromo5(3methoxyphenyl)2(5methylthiophen2yl)510bdihydro1Hpyrazolo(15c)(13)benzoxazine
CC1=CC=C(S1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC3C5=CC(=CC=C5)OC
InChI=1SC22H19BrN2O2Sc1136921(2813)181219171115(23)7820(17)2722(25(19)2418)1443516(1014)262h3111922H12H212H3
MFCD06650935
ZINC000016758681
ZINC000016758688
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