Vitas-M small molecule compound
4-[(Z)-{4-(methoxycarbonyl)-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3H-pyrrol-3-ylidene}methyl]benzoic acid
Catalog ID
STK160471
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)C(=O)O)c1cccc(c1)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 C22H16F3NO5 MW 431.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16F3NO5/c1-12-18(21(30)31-2)17(10-13-6-8-14(9-7-13)20(28)29)19(27)26(12)16-5-3-4-15(11-16)22(23,24)25/h3-11H,1-2H3,(H,28,29)/b17-10-InChIKey
HXZNUYJTKWTFOV-YVLHZVERSA-NSynonyms
4((Z)(4(METHOXYCARBONYL)5METHYL2OXO1(3(TRIFLUOROMETHYL)PHENYL)12DIHYDRO3HPYRROL3YLIDENE)METHYL)BENZOICACID
4((Z)(4METHOXYCARBONYL5METHYL2OXO1(3(TRIFLUOROMETHYL)PHENYL)PYRROL3YLIDENE)METHYL)BENZOICACID
CC1=C(C(=CC2=CC=C(C=C2)C(=O)O)C(=O)N1C3=CC=CC(=C3)C(F)(F)F)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)C(=O)O)c1cccc(c1)C(F)(F)F
InChI=1SC22H16F3NO5c11218(21(30)312)17(10136814(9713)20(28)29)19(27)26(12)1653415(1116)22(2324)25h311H12H3(H2829)b1710
MFCD03272242
ZINC000003464421
ZINC3464421
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