Vitas-M small molecule compound
methyl (4Z)-1-(3-bromophenyl)-2-methyl-4-(4-nitrobenzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK168440
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)[N+](=O)[O-])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 C20H15BrN2O5 MW 443.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrN2O5/c1-12-18(20(25)28-2)17(10-13-6-8-15(9-7-13)23(26)27)19(24)22(12)16-5-3-4-14(21)11-16/h3-11H,1-2H3/b17-10-InChIKey
AWAHDUZUFPJUAH-YVLHZVERSA-NSynonyms
CC1=C(C(=CC2=CC=C(C=C2)(N+)(=O)(O))C(=O)N1C3=CC(=CC=C3)Br)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)(N+)(=O)(O))c1cccc(c1)Br
InChI=1SC20H15BrN2O5c11218(20(25)282)17(10136815(9713)23(26)27)19(24)22(12)1653414(21)1116h311H12H3b1710
METHYL(4Z)1(3BROMOPHENYL)2METHYL4((4NITROPHENYL)METHYLIDENE)5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)1(3BROMOPHENYL)2METHYL4(4NITROBENZYLIDENE)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD03710932
ZINC000001160708
ZINC01160708
ZINC1160708
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