Vitas-M small molecule compound
6-[9-bromo-2-(5-bromothiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoic acid
Catalog ID
STK542676
SMILES COc1ccc(c(c1OC)C(=O)O)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc(s1)Br)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 C23H18Br2N2O5S MW 594.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18Br2N2O5S/c1-30-17-6-4-12(20(23(28)29)21(17)31-2)22-27-15(13-9-11(24)3-5-16(13)32-22)10-14(26-27)18-7-8-19(25)33-18/h3-9,15,22H,10H2,1-2H3,(H,28,29)InChIKey
UKGKHLQAEKDHOQ-UHFFFAOYSA-NSynonyms
6(9bromo2(5bromothiophen2yl)110bdihydropyrazolo(15c)(13)benzoxazin5yl)23dimethoxybenzoicacid
6(9bromo2(5bromothiophen2yl)510bdihydro1Hbenzo(e)pyrazolo(15c)(13)oxazin5yl)23dimethoxybenzoicacid
6(9BROMO2(5BROMOTHIOPHEN2YL)510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZIN5YL)23DIMETHOXYBENZOICACID
COC1=C(C(=C(C=C1)C2N3C(CC(=N3)C4=CC=C(S4)Br)C5=C(O2)C=CC(=C5)Br)C(=O)O)OC
InChI=1SC23H18Br2N2O5Sc130176412(20(23(28)29)21(17)312)222715(13911(24)3516(13)3222)1014(2627)187819(25)3318h391522H10H212H3(H2829)
MFCD03010753
ZINC000102433521
ZINC000105790238
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