Vitas-M small molecule compound
methyl (4Z)-1-(3-bromophenyl)-4-[4-(methoxycarbonyl)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK168431
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)C(=O)OC)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 C22H18BrNO5 MW 456.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrNO5/c1-13-19(22(27)29-3)18(11-14-7-9-15(10-8-14)21(26)28-2)20(25)24(13)17-6-4-5-16(23)12-17/h4-12H,1-3H3/b18-11-InChIKey
PQALTSVOMXKWNR-WQRHYEAKSA-NSynonyms
CC1=C(C(=CC2=CC=C(C=C2)C(=O)OC)C(=O)N1C3=CC(=CC=C3)Br)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)C(=O)OC)c1cccc(c1)Br
InChI=1SC22H18BrNO5c11319(22(27)293)18(11147915(10814)21(26)282)20(25)24(13)1764516(23)1217h412H13H3b1811
METHYL(4Z)1(3BROMOPHENYL)4((4METHOXYCARBONYLPHENYL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)1(3BROMOPHENYL)4(4(METHOXYCARBONYL)BENZYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD01987861
ZINC000009846946
ZINC09846946
ZINC9846946
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