Vitas-M small molecule compound

methyl 3-(5-{(E)-2-[2-oxo-6-(trifluoromethyl)-1,2-dihydropyrimidin-4-yl]ethenyl}furan-2-yl)benzoate

Catalog ID
STK744487
SMILES COC(=O)c1cccc(c1)c1ccc(o1)/C=C/c1nc(=O)[nH]c(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 C19H13F3N2O4 MW 390.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13F3N2O4/c1-27-17(25)12-4-2-3-11(9-12)15-8-7-14(28-15)6-5-13-10-16(19(20,21)22)24-18(26)23-13/h2-10H,1H3,(H,23,24,26)/b6-5+
InChIKey
TVAAUCZVFOFUCD-AATRIKPKSA-N
Synonyms
385376-07-8
385376078
COC(=O)C1=CC=CC(=C1)C2=CC=C(O2)C=CC3=NC(=O)NC(=C3)C(F)(F)F
COC(=O)c1cccc(c1)c1ccc(o1)C=Cc1nc(=O)(nH)c(c1)C(F)(F)F
InChI=1SC19H13F3N2O4c12717(25)1242311(912)158714(2815)65131016(19(2021)22)2418(26)2313h210H1H3(H232426)b65+
METHYL3(5((1E)2(2OXO6(TRIFLUOROMETHYL)HYDROPYRIMIDIN4YL)VINYL)2FURYL)BENZOATE
methyl3(5((E)2(2oxo6(trifluoromethyl)12dihydropyrimidin4yl)ethenyl)furan2yl)benzoate
METHYL3(5((E)2(2OXO6(TRIFLUOROMETHYL)1HPYRIMIDIN4YL)ETHENYL)FURAN2YL)BENZOATE
METHYL3(5((E)2(2OXO6(TRIFLUOROMETHYL)23DIHYDROPYRIMIDIN4YL)VINYL)2FURYL)BENZOATE
METHYL3(5((E)2(2OXO6(TRIFLUOROMETHYL)3HPYRIMIDIN4YL)ETHENYL)FURAN2YL)BENZOATE
MFCD02648539
ZINC000004494849
ZINC4494849

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.