Vitas-M small molecule compound
methyl (4Z)-1-(4-bromophenyl)-4-(4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK877790
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)O)c1ccc(cc1)Br
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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 C20H16BrNO4 MW 414.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrNO4/c1-12-18(20(25)26-2)17(11-13-3-9-16(23)10-4-13)19(24)22(12)15-7-5-14(21)6-8-15/h3-11,23H,1-2H3/b17-11-InChIKey
KDUGOAKYEPVHRV-BOPFTXTBSA-NSynonyms
(Z)methyl1(4bromophenyl)4(4hydroxybenzylidene)2methyl5oxo45dihydro1Hpyrrole3carboxylate
CC1=C(C(=CC2=CC=C(C=C2)O)C(=O)N1C3=CC=C(C=C3)Br)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)O)c1ccc(cc1)Br
InChI=1SC20H16BrNO4c11218(20(25)262)17(11133916(23)10413)19(24)22(12)157514(21)6815h31123H12H3b1711
METHYL(4Z)1(4BROMOPHENYL)4((4HYDROXYPHENYL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
methyl(4Z)1(4bromophenyl)4(4hydroxybenzylidene)2methyl5oxo45dihydro1Hpyrrole3carboxylate
MFCD02216485
ZINC000002305338
ZINC02305338
ZINC2305338
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