Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-ylamino)-1-(4-bromophenyl)prop-2-en-1-one
Catalog ID
STK983725
SMILES Brc1ccc(cc1)C(=O)/C=C/Nc1ccc2c(c1)OCO2
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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 C16H12BrNO3 MW 346.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12BrNO3/c17-12-3-1-11(2-4-12)14(19)7-8-18-13-5-6-15-16(9-13)21-10-20-15/h1-9,18H,10H2/b8-7+InChIKey
NGJQFQWVEWCGNY-BQYQJAHWSA-NSynonyms
(2E)3(13BENZODIOXOL5YLAMINO)1(4BROMOPHENYL)PROP2EN1ONE
(E)3(13BENZODIOXOL5YLAMINO)1(4BROMOPHENYL)PROP2EN1ONE
Brc1ccc(cc1)C(=O)C=CNc1ccc2c(c1)OCO2
C1OC2=C(O1)C=C(C=C2)NC=CC(=O)C3=CC=C(C=C3)Br
InChI=1SC16H12BrNO3c17123111(2412)14(19)781813561516(913)21102015h1918H10H2b87+
ZINC101063810
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