Vitas-M small molecule compound
6-[9-bromo-2-(naphthalen-1-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoic acid
Catalog ID
STK540318
SMILES COc1ccc(c(c1OC)C(=O)O)C1Oc2ccc(cc2C2N1N=C(C2)c1cccc2c1cccc2)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 C29H23BrN2O5 MW 559.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23BrN2O5/c1-35-25-13-11-20(26(29(33)34)27(25)36-2)28-32-23(21-14-17(30)10-12-24(21)37-28)15-22(31-32)19-9-5-7-16-6-3-4-8-18(16)19/h3-14,23,28H,15H2,1-2H3,(H,33,34)InChIKey
LMCSIUDRHGHRLQ-UHFFFAOYSA-NSynonyms
6(9bromo2(naphthalen1yl)110bdihydropyrazolo(15c)(13)benzoxazin5yl)23dimethoxybenzoicacid
6(9bromo2(naphthalen1yl)510bdihydro1Hbenzo(e)pyrazolo(15c)(13)oxazin5yl)23dimethoxybenzoicacid
6(9BROMO2NAPHTHALEN1YL510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZIN5YL)23DIMETHOXYBENZOICACID
COC1=C(C(=C(C=C1)C2N3C(CC(=N3)C4=CC=CC5=CC=CC=C54)C6=C(O2)C=CC(=C6)Br)C(=O)O)OC
InChI=1SC29H23BrN2O5c13525131120(26(29(33)34)27(25)362)283223(211417(30)101224(21)3728)1522(3132)1995716634818(16)19h3142328H15H212H3(H3334)
MFCD03007642
ZINC000102427016
ZINC000105790034
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