Vitas-M small molecule compound
2-[1-(4-chlorobenzyl)-2,5-diphenyl-1H-pyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
Catalog ID
STK792882
SMILES Clc1ccc(cc1)Cn1c(cc(c1c1ccccc1)C1=C(O)CC(CC1=O)(C)C)c1ccccc1
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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 C31H28ClNO2 MW 482.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClNO2/c1-31(2)18-27(34)29(28(35)19-31)25-17-26(22-9-5-3-6-10-22)33(20-21-13-15-24(32)16-14-21)30(25)23-11-7-4-8-12-23/h3-17,34H,18-20H2,1-2H3InChIKey
NEGHBYUPODDKKQ-UHFFFAOYSA-NSynonyms
799808-83-62(1((4CHLOROPHENYL)METHYL)25DIPHENYLPYRROL3YL)3HYDROXY55DIMETHYLCYCLOHEX2EN1ONE
2(1(4chlorobenzyl)25diphenyl1Hpyrrol3yl)3hydroxy55dimethylcyclohex2en1one
2(1(4chlorobenzyl)25diphenyl1Hpyrrol3yl)3hydroxy55dimethylcyclohex2enone
799808836
CC1(CC(=C(C(=O)C1)C2=C(N(C(=C2)C3=CC=CC=C3)CC4=CC=C(C=C4)Cl)C5=CC=CC=C5)O)C
InChI=1SC31H28ClNO2c131(2)1827(34)29(28(35)1931)251726(2295361022)33(2021131524(32)161421)30(25)23117481223h31734H1820H212H3
MFCD03679903
ZINC000009330807
ZINC09330807
ZINC9330807
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