Vitas-M small molecule compound
methyl (4Z)-4-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-[4-(ethoxycarbonyl)phenyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK168616
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)/C(=C\c2cc(n(c2C)c2ccc(cc2)Br)C)/C(=C1C)C(=O)OC
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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 C29H27BrN2O5 MW 563.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27BrN2O5/c1-6-37-28(34)20-7-11-24(12-8-20)32-19(4)26(29(35)36-5)25(27(32)33)16-21-15-17(2)31(18(21)3)23-13-9-22(30)10-14-23/h7-16H,6H2,1-5H3/b25-16-InChIKey
MAXLKOXYEMAQBY-XYGWBWBKSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=C(C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)Br)C)C2=O)C(=O)OC)C
CCOC(=O)c1ccc(cc1)N1C(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)Br)C)C(=C1C)C(=O)OC
InChI=1SC29H27BrN2O5c163728(34)2071124(12820)3219(4)26(29(35)365)25(27(32)33)16211517(2)31(18(21)3)2313922(30)101423h716H6H215H3b2516
METHYL(4Z)4((1(4BROMOPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(4(ETHOXYCARBONYL)PHENYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((1(4BROMOPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(4ETHOXYCARBONYLPHENYL)2METHYL5OXOPYRROLE3CARBOXYLATE
METHYL4((1(4BROMOPHENYL)25DIMETHYL1HPYRROL3YL)METHYLENE)1(4(ETHOXYCARBONYL)PHENYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD03272432
ZINC000002178419
ZINC02178419
ZINC2178419
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