Vitas-M small molecule compound

(2E)-1-(8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(dimethylamino)prop-2-en-1-one

Catalog ID
STK934051
SMILES CN(/C=C/C(=O)c1cc2OCCCOc2cc1Br)C

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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 C14H16BrNO3 MW 326.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16BrNO3/c1-16(2)5-4-12(17)10-8-13-14(9-11(10)15)19-7-3-6-18-13/h4-5,8-9H,3,6-7H2,1-2H3/b5-4+
InChIKey
OMNCNMSIAHCYRW-SNAWJCMRSA-N
Synonyms
1189751-27-6
(2E)1(8bromo34dihydro2H15benzodioxepin7yl)3(dimethylamino)prop2en1one
(E)1(7bromo34dihydro2H15benzodioxepin8yl)3(dimethylamino)prop2en1one
(E)1(8bromo34dihydro2Hbenzo(b)(14)dioxepin7yl)3(dimethylamino)prop2en1one
1189751276
CN(C)C=CC(=O)C1=CC2=C(C=C1Br)OCCCO2
CN(C=CC(=O)c1cc2OCCCOc2cc1Br)C
InChI=1SC14H16BrNO3c116(2)5412(17)1081314(911(10)15)197361813h4589H367H212H3b54+
MFCD13176393
ZINC000036047689
ZINC36047689

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Available files

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