Vitas-M small molecule compound
(2E)-3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]prop-2-enamide
Catalog ID
STK317544
SMILES COc1ccc(cc1COc1ccc(cc1)Br)/C=C/C(=O)Nc1cnn(c1)Cc1ccc(cc1)F
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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 C27H23BrFN3O3 MW 536.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23BrFN3O3/c1-34-26-12-4-19(14-21(26)18-35-25-10-6-22(28)7-11-25)5-13-27(33)31-24-15-30-32(17-24)16-20-2-8-23(29)9-3-20/h2-15,17H,16,18H2,1H3,(H,31,33)/b13-5+InChIKey
RFINFWLCEMNRFQ-WLRTZDKTSA-NSynonyms
515858-18-1(2E)3(3((4bromophenoxy)methyl)4methoxyphenyl)N(1(4fluorobenzyl)1Hpyrazol4yl)prop2enamide
(E)3(3((4BROMOPHENOXY)METHYL)4METHOXYPHENYL)N(1((4FLUOROPHENYL)METHYL)PYRAZOL4YL)PROP2ENAMIDE
3(3((4BROMOPHENOXY)METHYL)4METHOXYPHENYL)N(1(4FLUOROBENZYL)1HPYRAZOL4YL)ACRYLAMIDE
515858181
COC1=C(C=C(C=C1)C=CC(=O)NC2=CN(N=C2)CC3=CC=C(C=C3)F)COC4=CC=C(C=C4)Br
COc1ccc(cc1COc1ccc(cc1)Br)C=CC(=O)Nc1cnn(c1)Cc1ccc(cc1)F
InChI=1SC27H23BrFN3O3c1342612419(1421(26)18352510622(28)71125)51327(33)3124153032(1724)16202823(29)9320h21517H1618H21H3(H3133)b135+
MFCD02373383
ZINC000002770176
ZINC02770176
ZINC2770176
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