Vitas-M small molecule compound
(2E)-3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]prop-2-enamide
Catalog ID
STK317496
SMILES COc1ccc(cc1COc1ccc(cc1)Br)/C=C/C(=O)Nc1cnn(c1)Cc1ccc(c(c1)Cl)Cl
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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 C27H22BrCl2N3O3 MW 587.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22BrCl2N3O3/c1-35-26-10-3-18(12-20(26)17-36-23-7-5-21(28)6-8-23)4-11-27(34)32-22-14-31-33(16-22)15-19-2-9-24(29)25(30)13-19/h2-14,16H,15,17H2,1H3,(H,32,34)/b11-4+InChIKey
OTLCGHHHTGVQML-NYYWCZLTSA-NSynonyms
515850-28-9(2E)3(3((4bromophenoxy)methyl)4methoxyphenyl)N(1(34dichlorobenzyl)1Hpyrazol4yl)prop2enamide
(E)3(3((4BROMOPHENOXY)METHYL)4METHOXYPHENYL)N(1((34DICHLOROPHENYL)METHYL)PYRAZOL4YL)PROP2ENAMIDE
515850289
COC1=C(C=C(C=C1)C=CC(=O)NC2=CN(N=C2)CC3=CC(=C(C=C3)Cl)Cl)COC4=CC=C(C=C4)Br
COc1ccc(cc1COc1ccc(cc1)Br)C=CC(=O)Nc1cnn(c1)Cc1ccc(c(c1)Cl)Cl
InChI=1SC27H22BrCl2N3O3c1352610318(1220(26)1736237521(28)6823)41127(34)3222143133(1622)15192924(29)25(30)1319h21416H1517H21H3(H3234)b114+
MFCD02243628
ZINC000002769480
ZINC2769480
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