Vitas-M small molecule compound
5-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Catalog ID
STK521322
SMILES CCOc1c(Br)cc(cc1OC)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 C23H21BrN2O3S MW 485.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21BrN2O3S/c1-3-28-22-16(24)11-14(12-20(22)27-2)23-26-18(15-7-4-5-8-19(15)29-23)13-17(25-26)21-9-6-10-30-21/h4-12,18,23H,3,13H2,1-2H3InChIKey
WTNKSAJVWMGEET-UHFFFAOYSA-NSynonyms
5(3bromo4ethoxy5methoxyphenyl)2(thiophen2yl)110bdihydropyrazolo(15c)(13)benzoxazine
5(3BROMO4ETHOXY5METHOXYPHENYL)2THIOPHEN2YL510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZINE
CCOC1=C(C=C(C=C1Br)C2N3C(CC(=N3)C4=CC=CS4)C5=CC=CC=C5O2)OC
InChI=1SC23H21BrN2O3Sc13282216(24)1114(1220(22)272)232618(15745819(15)2923)1317(2526)2196103021h4121823H313H212H3
MFCD03710031
ZINC000009804769
ZINC000015016221
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