Vitas-M small molecule compound
methyl (4Z)-1-benzyl-4-[4-(methoxycarbonyl)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK168422
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)C(=O)OC)Cc1ccccc1
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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 C23H21NO5 MW 391.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21NO5/c1-15-20(23(27)29-3)19(13-16-9-11-18(12-10-16)22(26)28-2)21(25)24(15)14-17-7-5-4-6-8-17/h4-13H,14H2,1-3H3/b19-13-InChIKey
PHMSXIKBCMMLRR-UYRXBGFRSA-NSynonyms
CC1=C(C(=CC2=CC=C(C=C2)C(=O)OC)C(=O)N1CC3=CC=CC=C3)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)C(=O)OC)Cc1ccccc1
InChI=1SC23H21NO5c11520(23(27)293)19(131691118(121016)22(26)282)21(25)24(15)14177546817h413H14H213H3b1913
METHYL(4Z)1BENZYL4((4METHOXYCARBONYLPHENYL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)1BENZYL4(4(METHOXYCARBONYL)BENZYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD03711686
ZINC000001162554
ZINC01162554
ZINC1162554
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