Vitas-M small molecule compound

2,3-dimethoxy-6-{2-[4-(phenylsulfanyl)phenyl]-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl}benzoic acid

Catalog ID
STK538880
SMILES COc1ccc(c(c1OC)C(=O)O)C1Oc2ccccc2C2N1N=C(C2)c1ccc(cc1)Sc1ccccc1

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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 C31H26N2O5S MW 538.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N2O5S/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)19-12-14-21(15-13-19)39-20-8-4-3-5-9-20/h3-17,25,30H,18H2,1-2H3,(H,34,35)
InChIKey
HOEDSFSIVAQDPY-UHFFFAOYSA-N
Synonyms
383903-98-8
23dimethoxy6(2(4(phenylsulfanyl)phenyl)110bdihydropyrazolo(15c)(13)benzoxazin5yl)benzoicacid
23dimethoxy6(2(4(phenylthio)phenyl)510bdihydro1Hbenzo(e)pyrazolo(15c)(13)oxazin5yl)benzoicacid
23DIMETHOXY6(2(4PHENYLSULFANYLPHENYL)510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZIN5YL)BENZOICACID
383903988
COC1=C(C(=C(C=C1)C2N3C(CC(=N3)C4=CC=C(C=C4)SC5=CC=CC=C5)C6=CC=CC=C6O2)C(=O)O)OC
InChI=1SC31H26N2O5Sc13627171623(28(31(34)35)29(27)372)303325(2210671126(22)3830)1824(3233)19121421(151319)39208435920h3172530H18H212H3(H3435)
MFCD03283997
ZINC000097951367
ZINC000102688479

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Available files

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