Vitas-M small molecule compound
methyl (4Z)-1-(2-fluorophenyl)-4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161542
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccccc1C(=O)OC)C)c1ccccc1F
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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 C28H25FN2O5 MW 488.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25FN2O5/c1-16-14-19(17(2)30(16)23-12-8-6-10-20(23)27(33)35-4)15-21-25(28(34)36-5)18(3)31(26(21)32)24-13-9-7-11-22(24)29/h6-15H,1-5H3/b21-15-InChIKey
BRVGQSXYJLHHQJ-QNGOZBTKSA-NSynonyms
CC1=CC(=C(N1C2=CC=CC=C2C(=O)OC)C)C=C3C(=C(N(C3=O)C4=CC=CC=C4F)C)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1ccccc1C(=O)OC)C)c1ccccc1F
InChI=1SC28H25FN2O5c1161419(17(2)30(16)2312861020(23)27(33)354)152125(28(34)365)18(3)31(26(21)32)2413971122(24)29h615H15H3b2115
METHYL(4Z)1(2FLUOROPHENYL)4((1(2(METHOXYCARBONYL)PHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)1(2FLUOROPHENYL)4((1(2METHOXYCARBONYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD03261500
ZINC000001138683
ZINC01138683
ZINC1138683
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