Vitas-M small molecule compound
2-(4-bromo-1,3-benzodioxol-5-yl)-4,4-diphenyl-1,4-dihydro-2H-3,1-benzoxazine
Catalog ID
STK786002
SMILES Brc1c(ccc2c1OCO2)C1Nc2ccccc2C(O1)(c1ccccc1)c1ccccc1
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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 C27H20BrNO3 MW 486.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20BrNO3/c28-24-20(15-16-23-25(24)31-17-30-23)26-29-22-14-8-7-13-21(22)27(32-26,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-16,26,29H,17H2InChIKey
HMYRFBKQTVOQQO-UHFFFAOYSA-NSynonyms
2(4bromo13benzodioxol5yl)44diphenyl12dihydro31benzoxazine
2(4bromo13benzodioxol5yl)44diphenyl14dihydro2H31benzoxazine
C1OC2=C(O1)C(=C(C=C2)C3NC4=CC=CC=C4C(O3)(C5=CC=CC=C5)C6=CC=CC=C6)Br
InChI=1SC27H20BrNO3c282420(15162325(24)31173023)26292214871321(22)27(32261893141018)19115261219h1162629H17H2
MFCD08142432
ZINC000012376060
ZINC000012376061
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