Vitas-M small molecule compound
[5-(5-chlorothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl][5-(2-hydroxyphenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Catalog ID
STK305170
SMILES COc1cccc(c1)C1=NN(C(C1)c1ccccc1O)C(=O)c1cc2n(n1)c(cc(n2)c1ccc(s1)Cl)C(F)(F)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 C28H19ClF3N5O3S MW 598.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19ClF3N5O3S/c1-40-16-6-4-5-15(11-16)18-12-21(17-7-2-3-8-22(17)38)36(34-18)27(39)20-14-26-33-19(23-9-10-25(29)41-23)13-24(28(30,31)32)37(26)35-20/h2-11,13-14,21,38H,12H2,1H3InChIKey
BGQHRDGAIZRKSE-UHFFFAOYSA-NSynonyms
679826-94-9(5(5CHLOROTHIOPHEN2YL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDIN2YL)(3(2HYDROXYPHENYL)5(3METHOXYPHENYL)34DIHYDROPYRAZOL2YL)METHANONE
(5(5chlorothiophen2yl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)(5(2hydroxyphenyl)3(3methoxyphenyl)45dihydro1Hpyrazol1yl)methanone
679826949
COC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CC=C3O)C(=O)C4=NN5C(=CC(=NC5=C4)C6=CC=C(S6)Cl)C(F)(F)F
InChI=1SC28H19ClF3N5O3Sc1401664515(1116)181221(17723822(17)38)36(3418)27(39)2014263319(2391025(29)4123)1324(28(3031)32)37(26)3520h21113142138H12H21H3
MFCD04049962
ZINC000097948717
ZINC000097948718
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