Vitas-M small molecule compound
9-bromo-2-(5-bromothiophen-2-yl)-5-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Catalog ID
STL191898
SMILES Brc1ccc2c(c1)C1CC(=NN1C(O2)c1ccc(cc1)C)c1ccc(s1)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 C21H16Br2N2OS MW 504.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16Br2N2OS/c1-12-2-4-13(5-3-12)21-25-17(15-10-14(22)6-7-18(15)26-21)11-16(24-25)19-8-9-20(23)27-19/h2-10,17,21H,11H2,1H3InChIKey
NYFQCZFHAGNSKN-UHFFFAOYSA-NSynonyms
9bromo2(5bromothiophen2yl)5(4methylphenyl)110bdihydropyrazolo(15c)(13)benzoxazine
9bromo2(5bromothiophen2yl)5(4methylphenyl)510bdihydro1Hpyrazolo(15c)(13)benzoxazine
CC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC=C(S4)Br)C5=C(O2)C=CC(=C5)Br
InChI=1SC21H16Br2N2OSc1122413(5312)212517(151014(22)6718(15)2621)1116(2425)198920(23)2719h2101721H11H21H3
MFCD08530630
ZINC000019926696
ZINC000019926705
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