Vitas-M small molecule compound
(2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
Catalog ID
STK949649
SMILES COc1cc(ccc1OC)C(=O)/C=C/c1ccc(o1)c1ccc(c(c1)[N+](=O)[O-])Cl
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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 C21H16ClNO6 MW 413.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClNO6/c1-27-20-9-4-13(12-21(20)28-2)18(24)8-5-15-6-10-19(29-15)14-3-7-16(22)17(11-14)23(25)26/h3-12H,1-2H3/b8-5+InChIKey
DPACTRSFIXNUGW-VMPITWQZSA-NSynonyms
(2E)1(34DIMETHOXYPHENYL)3(5(4CHLORO3NITROPHENYL)(2FURYL))PROP2EN1ONE
(2E)3(5(4chloro3nitrophenyl)furan2yl)1(34dimethoxyphenyl)prop2en1one
(E)3(5(4CHLORO3NITROPHENYL)FURAN2YL)1(34DIMETHOXYPHENYL)PROP2EN1ONE
COC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)(N+)(=O)(O))OC
COc1cc(ccc1OC)C(=O)C=Cc1ccc(o1)c1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC21H16ClNO6c127209413(1221(20)282)18(24)851561019(2915)143716(22)17(1114)23(25)26h312H12H3b85+
MFCD02655460
ZINC000004725271
ZINC04725271
ZINC4725271
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