Vitas-M small molecule compound

6-[2-(biphenyl-4-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoic acid

Catalog ID
STK539592
SMILES COc1ccc(c(c1OC)C(=O)O)C1Oc2ccccc2C2N1N=C(C2)c1ccc(cc1)c1ccccc1

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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 C31H26N2O5 MW 506.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N2O5/c1-36-27-17-16-23(28(31(34)35)29(27)37-2)30-33-25(22-10-6-7-11-26(22)38-30)18-24(32-33)21-14-12-20(13-15-21)19-8-4-3-5-9-19/h3-17,25,30H,18H2,1-2H3,(H,34,35)
InChIKey
CZBLEMUQFXXRSY-UHFFFAOYSA-N
Synonyms
384352-59-4
23DIMETHOXY6(2(4PHENYLPHENYL)510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZIN5YL)BENZOICACID
384352594
6(2((11biphenyl)4yl)510bdihydro1Hbenzo(e)pyrazolo(15c)(13)oxazin5yl)23dimethoxybenzoicacid
6(2(biphenyl4yl)110bdihydropyrazolo(15c)(13)benzoxazin5yl)23dimethoxybenzoicacid
6(2BIPHENYL4YL110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZIN5YL)23DIMETHOXYBENZOICACID
COC1=C(C(=C(C=C1)C2N3C(CC(=N3)C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=CC=C6O2)C(=O)O)OC
InChI=1SC31H26N2O5c13627171623(28(31(34)35)29(27)372)303325(2210671126(22)3830)1824(3233)21141220(131521)198435919h3172530H18H212H3(H3435)
MFCD03285315
ZINC000009216390
ZINC000013552350

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.