Vitas-M small molecule compound
methyl (4Z)-4-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(furan-2-ylmethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK168552
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccc(cc1)Br)C)Cc1ccco1
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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 C25H23BrN2O4 MW 495.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23BrN2O4/c1-15-12-18(16(2)28(15)20-9-7-19(26)8-10-20)13-22-23(25(30)31-4)17(3)27(24(22)29)14-21-6-5-11-32-21/h5-13H,14H2,1-4H3/b22-13-InChIKey
VMJHAFBDSIYHNB-XKZIYDEJSA-NSynonyms
CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C=C3C(=C(N(C3=O)CC4=CC=CO4)C)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1ccc(cc1)Br)C)Cc1ccco1
InChI=1SC25H23BrN2O4c1151218(16(2)28(15)209719(26)81020)132223(25(30)314)17(3)27(24(22)29)142165113221h513H14H214H3b2213
METHYL(4Z)4((1(4BROMOPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(FURAN2YLMETHYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((1(4BROMOPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(FURAN2YLMETHYL)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD07546688
ZINC000008872518
ZINC08872518
ZINC8872518
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