Vitas-M small molecule compound

4-[2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzene-1,2-diol

Catalog ID
STK521314
SMILES Oc1cc(ccc1O)C1Oc2ccccc2C2N1N=C(C2)c1cccs1

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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 C20H16N2O3S MW 364.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2O3S/c23-16-8-7-12(10-17(16)24)20-22-15(13-4-1-2-5-18(13)25-20)11-14(21-22)19-6-3-9-26-19/h1-10,15,20,23-24H,11H2
InChIKey
SNSDDJBLFZAUKE-UHFFFAOYSA-N
Synonyms

4(2(thiophen2yl)110bdihydropyrazolo(15c)(13)benzoxazin5yl)benzene12diol
4(2THIOPHEN2YL510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZIN5YL)BENZENE12DIOL
C1C2C3=CC=CC=C3OC(N2N=C1C4=CC=CS4)C5=CC(=C(C=C5)O)O
InChI=1SC20H16N2O3Sc23168712(1017(16)24)202215(13412518(13)2520)1114(2122)196392619h11015202324H11H2
MFCD04230818
ZINC000005117009
ZINC000015016209

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Available files

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