Vitas-M small molecule compound

methyl (5E)-5-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(3,5-dimethylphenyl)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

Catalog ID
STK169297
SMILES COC(=O)C1=C(C)N(/C(=C/c2cc(n(c2C)c2cccc(c2)Cl)C)/C1=O)c1cc(C)cc(c1)C

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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 C28H27ClN2O3 MW 474.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClN2O3/c1-16-10-17(2)12-24(11-16)31-20(5)26(28(33)34-6)27(32)25(31)14-21-13-18(3)30(19(21)4)23-9-7-8-22(29)15-23/h7-15H,1-6H3/b25-14+
InChIKey
ROCYBJIUKIPZHG-AFUMVMLFSA-N
Synonyms

(E)methyl5((1(3chlorophenyl)25dimethyl1Hpyrrol3yl)methylene)1(35dimethylphenyl)2methyl4oxo45dihydro1Hpyrrole3carboxylate
CC1=CC(=CC(=C1)N2C(=C(C(=O)C2=CC3=C(N(C(=C3)C)C4=CC(=CC=C4)Cl)C)C(=O)OC)C)C
COC(=O)C1=C(C)N(C(=Cc2cc(n(c2C)c2cccc(c2)Cl)C)C1=O)c1cc(C)cc(c1)C
InChI=1SC28H27ClN2O3c1161017(2)1224(1116)3120(5)26(28(33)346)27(32)25(31)14211318(3)30(19(21)4)2397822(29)1523h715H16H3b2514+
METHYL(5E)5((1(3CHLOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(35DIMETHYLPHENYL)2METHYL4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(5E)5((1(3CHLOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(35DIMETHYLPHENYL)2METHYL4OXOPYRROLE3CARBOXYLATE
MFCD02623667
ZINC000009348461
ZINC09348461
ZINC9348461

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.