Vitas-M small molecule compound
(4E)-4-[3-chloro-5-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-3-methyl-1,2-oxazol-5(4H)-one
Catalog ID
STL484343
SMILES C#CCOc1c(Cl)cc(cc1OC)/C=C\1/C(=O)ON=C1C
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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 C15H12ClNO4 MW 305.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12ClNO4/c1-4-5-20-14-12(16)7-10(8-13(14)19-3)6-11-9(2)17-21-15(11)18/h1,6-8H,5H2,2-3H3/b11-6+InChIKey
GCTJJKMNTVCBFD-IZZDOVSWSA-NSynonyms
(4E)4((3CHLORO5METHOXY4PROP2YNOXYPHENYL)METHYLIDENE)3METHYL12OXAZOL5ONE
(4E)4(3chloro5methoxy4(prop2yn1yloxy)benzylidene)3methyl12oxazol5(4H)one
(4E)4(3CHLORO5METHOXY4(PROP2YNYLOXY)BENZYLIDENE)3METHYLISOXAZOL5(4H)ONE
C#CCOc1c(Cl)cc(cc1OC)C=C1C(=O)ON=C1C
CC1=NOC(=O)C1=CC2=CC(=C(C(=C2)Cl)OCC#C)OC
InChI=1SC15H12ClNO4c145201412(16)710(813(14)193)6119(2)172115(11)18h168H5H223H3b116+
MFCD05026520
ZINC000004320989
ZINC4320989
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