Vitas-M small molecule compound
methyl 3-(3-{(E)-[1-(4-fluorobenzyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Catalog ID
STK161410
SMILES COC(=O)c1cccc(c1)n1c(C)cc(c1C)/C=C\1/NC(=O)N(C1=O)Cc1ccc(cc1)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 C25H22FN3O4 MW 447.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22FN3O4/c1-15-11-19(16(2)29(15)21-6-4-5-18(12-21)24(31)33-3)13-22-23(30)28(25(32)27-22)14-17-7-9-20(26)10-8-17/h4-13H,14H2,1-3H3,(H,27,32)/b22-13+InChIKey
AAKHPVAZKAHYMX-LPYMAVHISA-NSynonyms
CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)OC)C)C=C3C(=O)N(C(=O)N3)CC4=CC=C(C=C4)F
COC(=O)c1cccc(c1)n1c(C)cc(c1C)C=C1NC(=O)N(C1=O)Cc1ccc(cc1)F
InChI=1SC25H22FN3O4c1151119(16(2)29(15)2164518(1221)24(31)333)132223(30)28(25(32)2722)14177920(26)10817h413H14H213H3(H2732)b2213+
METHYL3(3((E)(1((4FLUOROPHENYL)METHYL)25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOATE
METHYL3(3((E)(1(4FLUOROBENZYL)25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOATE
MFCD03272468
ZINC000000638786
ZINC00638786
ZINC638786
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