Vitas-M small molecule compound
methyl (5E)-2-methyl-1-(4-methylphenyl)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160097
SMILES COC(=O)C1=C(C)N(/C(=C/c2sccc2C)/C1=O)c1ccc(cc1)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 C20H19NO3S MW 353.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19NO3S/c1-12-5-7-15(8-6-12)21-14(3)18(20(23)24-4)19(22)16(21)11-17-13(2)9-10-25-17/h5-11H,1-4H3/b16-11+InChIKey
DCFDGZIHEZJANG-LFIBNONCSA-NSynonyms
(E)methyl2methyl5((3methylthiophen2yl)methylene)4oxo1(ptolyl)45dihydro1Hpyrrole3carboxylate
CC1=CC=C(C=C1)N2C(=C(C(=O)C2=CC3=C(C=CS3)C)C(=O)OC)C
COC(=O)C1=C(C)N(C(=Cc2sccc2C)C1=O)c1ccc(cc1)C
InChI=1SC20H19NO3Sc1125715(8612)2114(3)18(20(23)244)19(22)16(21)111713(2)9102517h511H14H3b1611+
METHYL(5E)2METHYL1(4METHYLPHENYL)5((3METHYLTHIOPHEN2YL)METHYLIDENE)4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(5E)2METHYL1(4METHYLPHENYL)5((3METHYLTHIOPHEN2YL)METHYLIDENE)4OXOPYRROLE3CARBOXYLATE
MFCD01988440
ZINC000100274599
ZINC100274599
ZINC13810200
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