Vitas-M small molecule compound
methyl 4-{2-(4-chlorophenyl)-4,6-dioxo-3-[4-(trifluoromethyl)phenyl]hexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl}benzoate
Catalog ID
STL019712
SMILES COC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1ccc(cc1)C(F)(F)F)c1ccc(cc1)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 C26H18ClF3N2O5 MW 530.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18ClF3N2O5/c1-36-25(35)15-4-10-18(11-5-15)31-23(33)20-21(14-2-6-16(7-3-14)26(28,29)30)32(37-22(20)24(31)34)19-12-8-17(27)9-13-19/h2-13,20-22H,1H3InChIKey
BVHGOJINBRCZKA-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)C(F)(F)F
InChI=1SC26H18ClF3N2O5c13625(35)1541018(11515)3123(33)2021(142616(7314)26(2829)30)32(3722(20)24(31)34)1912817(27)91319h2132022H1H3
METHYL4(2(4CHLOROPHENYL)46DIOXO3(4(TRIFLUOROMETHYL)PHENYL)3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL5YL)BENZOATE
methyl4(2(4chlorophenyl)46dioxo3(4(trifluoromethyl)phenyl)hexahydro5Hpyrrolo(34d)(12)oxazol5yl)benzoate
MFCD04440954
ZINC000105906409
ZINC000238882028
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