Vitas-M small molecule compound
(2E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one
Catalog ID
STL151511
SMILES Clc1cc(/C=C/C(=O)c2cc(ccc2O)[N+](=O)[O-])c2c(c1)COCO2
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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 C17H12ClNO6 MW 361.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12ClNO6/c18-12-5-10(17-11(6-12)8-24-9-25-17)1-3-15(20)14-7-13(19(22)23)2-4-16(14)21/h1-7,21H,8-9H2/b3-1+InChIKey
LBFWXGFWMIGKBR-HNQUOIGGSA-NSynonyms
170807-45-1(2E)3(6CHLORO4H13BENZODIOXIN8YL)1(2HYDROXY5NITROPHENYL)PROP2EN1ONE
(E)3(6CHLORO4H13BENZODIOXIN8YL)1(2HYDROXY5NITROPHENYL)PROP2EN1ONE
(E)3(6chloro4Hbenzo(d)(13)dioxin8yl)1(2hydroxy5nitrophenyl)prop2en1one
170807451
C1C2=C(C(=CC(=C2)Cl)C=CC(=O)C3=C(C=CC(=C3)(N+)(=O)(O))O)OCO1
Clc1cc(C=CC(=O)c2cc(ccc2O)(N+)(=O)(O))c2c(c1)COCO2
InChI=1SC17H12ClNO6c1812510(1711(612)82492517)1315(20)14713(19(22)23)2416(14)21h1721H89H2b31+
MFCD00710026
ZINC000049575565
ZINC49575565
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