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)-2-methylbenzoate
Catalog ID
STK054134
SMILES COC(=O)c1cccc(c1C)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 C26H24FN3O4 MW 461.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24FN3O4/c1-15-12-19(17(3)30(15)23-7-5-6-21(16(23)2)25(32)34-4)13-22-24(31)29(26(33)28-22)14-18-8-10-20(27)11-9-18/h5-13H,14H2,1-4H3,(H,28,33)/b22-13+InChIKey
RAUQQKLGGIPWNQ-LPYMAVHISA-NSynonyms
CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)OC)C)C=C3C(=O)N(C(=O)N3)CC4=CC=C(C=C4)F
COC(=O)c1cccc(c1C)n1c(C)cc(c1C)C=C1NC(=O)N(C1=O)Cc1ccc(cc1)F
InChI=1SC26H24FN3O4c1151219(17(3)30(15)2375621(16(23)2)25(32)344)132224(31)29(26(33)2822)141881020(27)11918h513H14H214H3(H2833)b2213+
METHYL3(3((E)(1((4FLUOROPHENYL)METHYL)25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)25DIMETHYLPYRROL1YL)2METHYLBENZOATE
METHYL3(3((E)(1(4FLUOROBENZYL)25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)2METHYLBENZOATE
MFCD03272469
STK054134
ZINC000009434945
ZINC09434945
ZINC9434945
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