Vitas-M small molecule compound
methyl (4Z)-4-{[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(furan-2-ylmethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160441
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1c(C)cccc1C)C)Cc1ccco1
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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 C27H28N2O4 MW 444.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O4/c1-16-9-7-10-17(2)25(16)29-18(3)13-21(19(29)4)14-23-24(27(31)32-6)20(5)28(26(23)30)15-22-11-8-12-33-22/h7-14H,15H2,1-6H3/b23-14-InChIKey
QCAPKOZUNIGPPX-UCQKPKSFSA-NSynonyms
CC1=C(C(=CC=C1)C)N2C(=CC(=C2C)C=C3C(=C(N(C3=O)CC4=CC=CO4)C)C(=O)OC)C
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1c(C)cccc1C)C)Cc1ccco1
InChI=1SC27H28N2O4c116971017(2)25(16)2918(3)1321(19(29)4)142324(27(31)326)20(5)28(26(23)30)1522118123322h714H15H216H3b2314
METHYL(4Z)4((1(26DIMETHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(FURAN2YLMETHYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((1(26DIMETHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(FURAN2YLMETHYL)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD07065563
ZINC000008872595
ZINC08872595
ZINC8872595
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