Vitas-M small molecule compound
methyl 5-[(3E)-3-{[5-(4-bromophenyl)furan-2-yl]methylidene}-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]-2-chlorobenzoate
Catalog ID
STK192547
SMILES COC(=O)c1cc(ccc1Cl)N1C(=O)/C(=C/c2ccc(o2)c2ccc(cc2)Br)/C=C1c1ccccc1
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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 C29H19BrClNO4 MW 560.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H19BrClNO4/c1-35-29(34)24-17-22(11-13-25(24)31)32-26(18-5-3-2-4-6-18)16-20(28(32)33)15-23-12-14-27(36-23)19-7-9-21(30)10-8-19/h2-17H,1H3/b20-15+InChIKey
KLIUKOGMUCZEAH-HMMYKYKNSA-NSynonyms
COC(=O)C1=C(C=CC(=C1)N2C(=CC(=CC3=CC=C(O3)C4=CC=C(C=C4)Br)C2=O)C5=CC=CC=C5)Cl
COC(=O)c1cc(ccc1Cl)N1C(=O)C(=Cc2ccc(o2)c2ccc(cc2)Br)C=C1c1ccccc1
InChI=1SC29H19BrClNO4c13529(34)241722(111325(24)31)3226(185324618)1620(28(32)33)1523121427(3623)197921(30)10819h217H1H3b2015+
METHYL5((3E)3((5(4BROMOPHENYL)FURAN2YL)METHYLIDENE)2OXO5PHENYL23DIHYDRO1HPYRROL1YL)2CHLOROBENZOATE
methyl5((3E)3((5(4bromophenyl)furan2yl)methylidene)2oxo5phenylpyrrol1yl)2chlorobenzoate
MFCD01931280
ZINC000008872192
ZINC8872192
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