Vitas-M small molecule compound
methyl (4Z)-1-(3-bromophenyl)-4-(3,4-dichlorobenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK168438
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(c(c1)Cl)Cl)c1cccc(c1)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 C20H14BrCl2NO3 MW 467.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14BrCl2NO3/c1-11-18(20(26)27-2)15(8-12-6-7-16(22)17(23)9-12)19(25)24(11)14-5-3-4-13(21)10-14/h3-10H,1-2H3/b15-8-InChIKey
XNAKAZUWQOAQIK-NVNXTCNLSA-NSynonyms
CC1=C(C(=CC2=CC(=C(C=C2)Cl)Cl)C(=O)N1C3=CC(=CC=C3)Br)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(c(c1)Cl)Cl)c1cccc(c1)Br
InChI=1SC20H14BrCl2NO3c11118(20(26)272)15(8126716(22)17(23)912)19(25)24(11)1453413(21)1014h310H12H3b158
METHYL(4Z)1(3BROMOPHENYL)4((34DICHLOROPHENYL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)1(3BROMOPHENYL)4(34DICHLOROBENZYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD07565964
ZINC000009846948
ZINC09846948
ZINC9846948
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