Vitas-M small molecule compound
2-{3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1H-pyrazol-1-yl}-1,3-benzothiazole
Catalog ID
STL447236
SMILES COc1ccc(cc1)/C=C/c1nn(c(c1)C(F)(F)F)c1nc2c(s1)cccc2
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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 C20H14F3N3OS MW 401.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14F3N3OS/c1-27-15-10-7-13(8-11-15)6-9-14-12-18(20(21,22)23)26(25-14)19-24-16-4-2-3-5-17(16)28-19/h2-12H,1H3/b9-6+InChIKey
MOQXXRXFOWEOSO-RMKNXTFCSA-NSynonyms
2(3((E)2(4methoxyphenyl)ethenyl)5(trifluoromethyl)1Hpyrazol1yl)13benzothiazole
2(3((E)2(4methoxyphenyl)ethenyl)5(trifluoromethyl)pyrazol1yl)13benzothiazole
COC1=CC=C(C=C1)C=CC2=NN(C(=C2)C(F)(F)F)C3=NC4=CC=CC=C4S3
COc1ccc(cc1)C=Cc1nn(c(c1)C(F)(F)F)c1nc2c(s1)cccc2
InChI=1SC20H14F3N3OSc1271510713(81115)69141218(20(2122)23)26(2514)192416423517(16)2819h212H1H3b96+
MFCD30712915
ZINC000033679319
ZINC33679319
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