Vitas-M small molecule compound
5-(3-bromo-4,5-dimethoxyphenyl)-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Catalog ID
STK522060
SMILES COc1c(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 C22H19BrN2O3S MW 471.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrN2O3S/c1-26-19-11-13(10-15(23)21(19)27-2)22-25-17(14-6-3-4-7-18(14)28-22)12-16(24-25)20-8-5-9-29-20/h3-11,17,22H,12H2,1-2H3InChIKey
JTNIVGTUHMLCRL-UHFFFAOYSA-NSynonyms
5(3bromo45dimethoxyphenyl)2(thiophen2yl)110bdihydropyrazolo(15c)(13)benzoxazine
5(3bromo45dimethoxyphenyl)2thiophen2yl510bdihydro1Hpyrazolo(15c)(13)benzoxazine
COC1=C(C(=CC(=C1)C2N3C(CC(=N3)C4=CC=CS4)C5=CC=CC=C5O2)Br)OC
InChI=1SC22H19BrN2O3Sc126191113(1015(23)21(19)272)222517(14634718(14)2822)1216(2425)208592920h3111722H12H212H3
MFCD13370949
ZINC000009593092
ZINC000015016762
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