Vitas-M small molecule compound
methyl 2-methyl-4-oxo-3-[2-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-8-carboxylate
Catalog ID
STL192852
SMILES COC(=O)c1ccc2c(c1)C1NC(=O)N(C(O2)(C1)C)c1ccccc1C(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 C20H17F3N2O4 MW 406.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17F3N2O4/c1-19-10-14(12-9-11(17(26)28-2)7-8-16(12)29-19)24-18(27)25(19)15-6-4-3-5-13(15)20(21,22)23/h3-9,14H,10H2,1-2H3,(H,24,27)InChIKey
QHGAXABMUQGMLV-UHFFFAOYSA-NSynonyms
899962-63-1899962631
CC12CC(C3=C(O1)C=CC(=C3)C(=O)OC)NC(=O)N2C4=CC=CC=C4C(F)(F)F
InChI=1SC20H17F3N2O4c1191014(12911(17(26)282)7816(12)2919)2418(27)25(19)15643513(15)20(2122)23h3914H10H212H3(H2427)
methyl2methyl4oxo3(2(trifluoromethyl)phenyl)3456tetrahydro2H26methano135benzoxadiazocine8carboxylate
MFCD07650977
ZINC000004852864
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