Vitas-M small molecule compound
2,3-dihydro-1,4-benzodioxin-2-ylmethyl 4-bromo-3-(morpholin-4-ylsulfonyl)benzoate
Catalog ID
STK763878
SMILES O=C(c1ccc(c(c1)S(=O)(=O)N1CCOCC1)Br)OCC1COc2c(O1)cccc2
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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 C20H20BrNO7S MW 498.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrNO7S/c21-16-6-5-14(11-19(16)30(24,25)22-7-9-26-10-8-22)20(23)28-13-15-12-27-17-3-1-2-4-18(17)29-15/h1-6,11,15H,7-10,12-13H2InChIKey
BWXIMNLJDPMCGX-UHFFFAOYSA-NSynonyms
23dihydro14benzodioxin2ylmethyl4bromo3(morpholin4ylsulfonyl)benzoate
23DIHYDRO14BENZODIOXIN3YLMETHYL4BROMO3MORPHOLIN4YLSULFONYLBENZOATE
C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3COC4=CC=CC=C4O3)Br
InChI=1SC20H20BrNO7Sc21166514(1119(16)30(2425)22792610822)20(23)281315122717312418(17)2915h161115H7101213H2
MFCD02647690
ZINC000001067193
ZINC000001067196
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