Vitas-M small molecule compound
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(methylsulfanyl)phenyl]-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Catalog ID
STL112526
SMILES CSc1ccc(cc1)C1Oc2ccccc2C2N1N=C(C2)c1ccc2c(c1)OCCO2
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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 C25H22N2O3S MW 430.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O3S/c1-31-18-9-6-16(7-10-18)25-27-21(19-4-2-3-5-22(19)30-25)15-20(26-27)17-8-11-23-24(14-17)29-13-12-28-23/h2-11,14,21,25H,12-13,15H2,1H3InChIKey
ARYRJVRHRUXSRY-UHFFFAOYSA-NSynonyms
2(23dihydro14benzodioxin6yl)5(4(methylsulfanyl)phenyl)110bdihydropyrazolo(15c)(13)benzoxazine
2(23DIHYDRO14BENZODIOXIN6YL)5(4METHYLSULFANYLPHENYL)510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZINE
CSC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC5=C(C=C4)OCCO5)C6=CC=CC=C6O2
InChI=1SC25H22N2O3Sc131189616(71018)252721(19423522(19)3025)1520(2627)178112324(1417)2913122823h211142125H121315H21H3
MFCD02711396
ZINC000012561636
ZINC000012561640
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