Vitas-M small molecule compound
methyl (4Z)-4-{[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methylidene}-1-(3,4-dimethylphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161541
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1cccc(c1)C)C)c1ccc(c(c1)C)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 C29H30N2O3 MW 454.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O3/c1-17-9-8-10-24(13-17)30-20(4)15-23(21(30)5)16-26-27(29(33)34-7)22(6)31(28(26)32)25-12-11-18(2)19(3)14-25/h8-16H,1-7H3/b26-16-InChIKey
WPVOEHMUURAMTM-QQXSKIMKSA-NSynonyms
CC1=CC(=CC=C1)N2C(=CC(=C2C)C=C3C(=C(N(C3=O)C4=CC(=C(C=C4)C)C)C)C(=O)OC)C
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1cccc(c1)C)C)c1ccc(c(c1)C)C
InChI=1SC29H30N2O3c117981024(1317)3020(4)1523(21(30)5)162627(29(33)347)22(6)31(28(26)32)25121118(2)19(3)1425h816H17H3b2616
METHYL(4Z)4((25DIMETHYL1(3METHYLPHENYL)1HPYRROL3YL)METHYLIDENE)1(34DIMETHYLPHENYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((25DIMETHYL1(3METHYLPHENYL)PYRROL3YL)METHYLIDENE)1(34DIMETHYLPHENYL)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD03262718
ZINC000009845999
ZINC09845999
ZINC9845999
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