Vitas-M small molecule compound
(2E)-3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-(1-ethyl-1H-pyrazol-5-yl)prop-2-en-1-one
Catalog ID
STL401562
SMILES CCn1nccc1C(=O)/C=C/c1ccc(o1)c1cc(ccc1Cl)[N+](=O)[O-]
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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 C18H14ClN3O4 MW 371.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14ClN3O4/c1-2-21-16(9-10-20-21)17(23)7-4-13-5-8-18(26-13)14-11-12(22(24)25)3-6-15(14)19/h3-11H,2H2,1H3/b7-4+InChIKey
XBKMNRFODCAAEO-QPJJXVBHSA-NSynonyms
1005636-37-2(2E)3(5(2CHLORO5NITROPHENYL)(2FURYL))1(1ETHYLPYRAZOL5YL)PROP2EN1ONE
(2E)3(5(2chloro5nitrophenyl)furan2yl)1(1ethyl1Hpyrazol5yl)prop2en1one
(E)3(5(2chloro5nitrophenyl)furan2yl)1(2ethylpyrazol3yl)prop2en1one
1005636372
CCN1C(=CC=N1)C(=O)C=CC2=CC=C(O2)C3=C(C=CC(=C3)(N+)(=O)(O))Cl
CCn1nccc1C(=O)C=Cc1ccc(o1)c1cc(ccc1Cl)(N+)(=O)(O)
InChI=1SC18H14ClN3O4c122116(9102021)17(23)74135818(2613)141112(22(24)25)3615(14)19h311H2H21H3b74+
MFCD04046211
ZINC000006490111
ZINC06490111
ZINC6490111
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