Vitas-M small molecule compound
(4Z)-2-(3-bromophenyl)-4-[(2E)-3-(4-nitrophenyl)prop-2-en-1-ylidene]-1,3-oxazol-5(4H)-one
Catalog ID
STL330471
SMILES Brc1cccc(c1)C1=N/C(=C\C=C\c2ccc(cc2)[N+](=O)[O-])/C(=O)O1
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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 C18H11BrN2O4 MW 399.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H11BrN2O4/c19-14-5-2-4-13(11-14)17-20-16(18(22)25-17)6-1-3-12-7-9-15(10-8-12)21(23)24/h1-11H/b3-1+,16-6-InChIKey
PQQCOSOTGNZTGL-PPFNYLEDSA-NSynonyms
(4Z)2(3bromophenyl)4((2E)3(4nitrophenyl)prop2en1ylidene)13oxazol5(4H)one
(4Z)2(3BROMOPHENYL)4((E)3(4NITROPHENYL)PROP2ENYLIDENE)13OXAZOL5ONE
(Z)2(3bromophenyl)4((E)3(4nitrophenyl)allylidene)oxazol5(4H)one
2(3BROMOPHENYL)4(3(4NITROPHENYL)ALLYLIDENE)4HOXAZOL5ONE
4((2E)3(4NITROPHENYL)PROP2ENYLIDENE)2(3BROMOPHENYL)13OXAZOLIN5ONE
Brc1cccc(c1)C1=NC(=CC=Cc2ccc(cc2)(N+)(=O)(O))C(=O)O1
C1=CC(=CC(=C1)Br)C2=NC(=CC=CC3=CC=C(C=C3)(N+)(=O)(O))C(=O)O2
InChI=1SC18H11BrN2O4c191452413(1114)172016(18(22)2517)613127915(10812)21(23)24h111Hb31+166
MFCD00379664
ZINC000013590463
ZINC13590463
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