Vitas-M small molecule compound
(2E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(1-ethyl-5-methyl-1H-pyrazol-4-yl)prop-2-en-1-one
Catalog ID
STL397222
SMILES CCn1ncc(c1C)C(=O)/C=C/c1cc(Br)c(c(c1)OC)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 C16H17BrN2O3 MW 365.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17BrN2O3/c1-4-19-10(2)12(9-18-19)14(20)6-5-11-7-13(17)16(21)15(8-11)22-3/h5-9,21H,4H2,1-3H3/b6-5+InChIKey
UVKAJEWPCYRDKH-AATRIKPKSA-NSynonyms
1005562-76-4(2E)3(3BROMO4HYDROXY5METHOXYPHENYL)1(1ETHYL5METHYL1HPYRAZOL4YL)PROP2EN1ONE
(E)3(3BROMO4HYDROXY5METHOXYPHENYL)1(1ETHYL5METHYLPYRAZOL4YL)PROP2EN1ONE
1005562764
CCN1C(=C(C=N1)C(=O)C=CC2=CC(=C(C(=C2)Br)O)OC)C
CCn1ncc(c1C)C(=O)C=Cc1cc(Br)c(c(c1)OC)O
InChI=1SC16H17BrN2O3c141910(2)12(91819)14(20)6511713(17)16(21)15(811)223h5921H4H213H3b65+
MFCD04130717
ZINC000006556027
ZINC06556027
ZINC6556027
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