Vitas-M small molecule compound
methyl (4Z)-4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(2-methoxyethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161524
SMILES COCCN1C(=C(/C(=C/c2cc(n(c2C)c2ccccc2C(=O)OC)C)/C1=O)C(=O)OC)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 C25H28N2O6 MW 452.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O6/c1-15-13-18(16(2)27(15)21-10-8-7-9-19(21)24(29)32-5)14-20-22(25(30)33-6)17(3)26(23(20)28)11-12-31-4/h7-10,13-14H,11-12H2,1-6H3/b20-14-InChIKey
GIMBAEHEKQDXKF-ZHZULCJRSA-NSynonyms
CC1=CC(=C(N1C2=CC=CC=C2C(=O)OC)C)C=C3C(=C(N(C3=O)CCOC)C)C(=O)OC
COCCN1C(=C(C(=Cc2cc(n(c2C)c2ccccc2C(=O)OC)C)C1=O)C(=O)OC)C
InChI=1SC25H28N2O6c1151318(16(2)27(15)211087919(21)24(29)325)142022(25(30)336)17(3)26(23(20)28)1112314h7101314H1112H216H3b2014
METHYL(4Z)4((1(2(METHOXYCARBONYL)PHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(2METHOXYETHYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((1(2METHOXYCARBONYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(2METHOXYETHYL)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD03256218
ZINC000002815775
ZINC02815775
ZINC2815775
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