Vitas-M small molecule compound
2,3-dibromo-6-methoxy-4-[2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol
Catalog ID
STK521323
SMILES COc1cc(C2Oc3ccccc3C3N2N=C(C3)c2cccs2)c(c(c1O)Br)Br
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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 C21H16Br2N2O3S MW 536.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16Br2N2O3S/c1-27-16-9-12(18(22)19(23)20(16)26)21-25-14(11-5-2-3-6-15(11)28-21)10-13(24-25)17-7-4-8-29-17/h2-9,14,21,26H,10H2,1H3InChIKey
DXQHPQPGWPRJEE-UHFFFAOYSA-NSynonyms
23DIBROMO6METHOXY4(2(2THIENYL)110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZIN5YL)PHENOL
23dibromo6methoxy4(2(thiophen2yl)110bdihydropyrazolo(15c)(13)benzoxazin5yl)phenol
23DIBROMO6METHOXY4(2THIOPHEN2YL510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZIN5YL)PHENOL
COC1=C(C(=C(C(=C1)C2N3C(CC(=N3)C4=CC=CS4)C5=CC=CC=C5O2)Br)Br)O
InChI=1SC21H16Br2N2O3Sc12716912(18(22)19(23)20(16)26)212514(11523615(11)2821)1013(2425)177482917h29142126H10H21H3
MFCD03271291
ZINC000008396747
ZINC000103128033
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