Vitas-M small molecule compound
methyl (5E)-1-(3,5-dimethylphenyl)-2-methyl-4-oxo-5-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK169246
SMILES COC(=O)C1=C(C)N(/C(=C/c2cccs2)/C1=O)c1cc(C)cc(c1)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/c1-12-8-13(2)10-15(9-12)21-14(3)18(20(23)24-4)19(22)17(21)11-16-6-5-7-25-16/h5-11H,1-4H3/b17-11+InChIKey
XLTBOQOGUBSVSB-GZTJUZNOSA-NSynonyms
CC1=CC(=CC(=C1)N2C(=C(C(=O)C2=CC3=CC=CS3)C(=O)OC)C)C
COC(=O)C1=C(C)N(C(=Cc2cccs2)C1=O)c1cc(C)cc(c1)C
InChI=1SC20H19NO3Sc112813(2)1015(912)2114(3)18(20(23)244)19(22)17(21)11166572516h511H14H3b1711+
METHYL(5E)1(35DIMETHYLPHENYL)2METHYL4OXO5(THIOPHEN2YLMETHYLIDENE)45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(5E)1(35DIMETHYLPHENYL)2METHYL4OXO5(THIOPHEN2YLMETHYLIDENE)PYRROLE3CARBOXYLATE
MFCD08675157
ZINC000100377451
ZINC04703149
ZINC100377451
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