Vitas-M small molecule compound
methyl (4Z)-4-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-1-[4-(ethoxycarbonyl)phenyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161543
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)/C(=C\c2cc(n(c2C)c2ccccc2)C)/C(=C1C)C(=O)OC
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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 C29H28N2O5 MW 484.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O5/c1-6-36-28(33)21-12-14-24(15-13-21)31-20(4)26(29(34)35-5)25(27(31)32)17-22-16-18(2)30(19(22)3)23-10-8-7-9-11-23/h7-17H,6H2,1-5H3/b25-17-InChIKey
SVVHVFLOONNAIF-UQQQWYQISA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=C(C(=CC3=C(N(C(=C3)C)C4=CC=CC=C4)C)C2=O)C(=O)OC)C
CCOC(=O)c1ccc(cc1)N1C(=O)C(=Cc2cc(n(c2C)c2ccccc2)C)C(=C1C)C(=O)OC
InChI=1SC29H28N2O5c163628(33)21121424(151321)3120(4)26(29(34)355)25(27(31)32)17221618(2)30(19(22)3)23108791123h717H6H215H3b2517
METHYL(4Z)4((25DIMETHYL1PHENYL1HPYRROL3YL)METHYLIDENE)1(4(ETHOXYCARBONYL)PHENYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((25DIMETHYL1PHENYLPYRROL3YL)METHYLIDENE)1(4ETHOXYCARBONYLPHENYL)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD03260071
ZINC000003652128
ZINC03652128
ZINC3652128
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