Vitas-M small molecule compound
methyl (4Z)-4-[4-(methoxycarbonyl)benzylidene]-2-methyl-5-oxo-1-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160034
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)C(=O)OC)c1ccc(cc1)C(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 C25H25NO5 MW 419.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO5/c1-15(2)18-10-12-20(13-11-18)26-16(3)22(25(29)31-5)21(23(26)27)14-17-6-8-19(9-7-17)24(28)30-4/h6-15H,1-5H3/b21-14-InChIKey
BHSMIKZLVIOGGY-STZFKDTASA-NSynonyms
CC1=C(C(=CC2=CC=C(C=C2)C(=O)OC)C(=O)N1C3=CC=C(C=C3)C(C)C)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)C(=O)OC)c1ccc(cc1)C(C)C
InChI=1SC25H25NO5c115(2)18101220(131118)2616(3)22(25(29)315)21(23(26)27)14176819(9717)24(28)304h615H15H3b2114
METHYL(4Z)4((4METHOXYCARBONYLPHENYL)METHYLIDENE)2METHYL5OXO1(4PROPAN2YLPHENYL)PYRROLE3CARBOXYLATE
METHYL(4Z)4(4(METHOXYCARBONYL)BENZYLIDENE)2METHYL5OXO1(4(PROPAN2YL)PHENYL)45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD07565935
ZINC000004696423
ZINC04696423
ZINC4696423
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