Vitas-M small molecule compound
methyl 4-[3-acetyl-1-(3-bromo-4-methylphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
Catalog ID
STK679197
SMILES COC(=O)c1ccc(cc1)C1N(c2ccc(c(c2)Br)C)C(=O)C(=C1C(=O)C)O
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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 C21H18BrNO5 MW 444.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrNO5/c1-11-4-9-15(10-16(11)22)23-18(17(12(2)24)19(25)20(23)26)13-5-7-14(8-6-13)21(27)28-3/h4-10,18,25H,1-3H3InChIKey
WZCKGUNFOTWRCE-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)N2C(C(=C(C2=O)O)C(=O)C)C3=CC=C(C=C3)C(=O)OC)Br
InChI=1SC21H18BrNO5c1114915(1016(11)22)2318(17(12(2)24)19(25)20(23)26)135714(8613)21(27)283h4101825H13H3
methyl4(3acetyl1(3bromo4methylphenyl)4hydroxy5oxo25dihydro1Hpyrrol2yl)benzoate
METHYL4(3ACETYL1(3BROMO4METHYLPHENYL)4HYDROXY5OXO2HPYRROL2YL)BENZOATE
MFCD03408771
ZINC000000719231
ZINC000008846469
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