Vitas-M small molecule compound
methyl 4-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL173715
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)COc1cc(F)ccc1[N+](=O)[O-])OC)C(=O)CCC2
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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 C26H25FN2O7 MW 496.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25FN2O7/c1-14-23(26(31)35-3)24(25-18(28-14)5-4-6-20(25)30)15-7-10-21(34-2)16(11-15)13-36-22-12-17(27)8-9-19(22)29(32)33/h7-12,24,28H,4-6,13H2,1-3H3InChIKey
KTGRMVNCVHHJSP-UHFFFAOYSA-NSynonyms
515850-23-4515850234
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OC)COC4=C(C=CC(=C4)F)(N+)(=O)(O))C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)COc1cc(F)ccc1(N+)(=O)(O))OC)C(=O)CCC2
InChI=1SC26H25FN2O7c11423(26(31)353)24(2518(2814)54620(25)30)1571021(342)16(1115)1336221217(27)8919(22)29(32)33h7122428H4613H213H3
methyl4(3((5fluoro2nitrophenoxy)methyl)4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3((5fluoro2nitrophenoxy)methyl)4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD02243604
ZINC000002769443
ZINC000002769444
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