Vitas-M small molecule compound
ethyl (4Z)-1-(3,4-dimethylphenyl)-2-methyl-5-oxo-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK159913
SMILES CCOC(=O)C1=C(C)N(C(=O)/C/1=C\c1cccs1)c1ccc(c(c1)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 C21H21NO3S MW 367.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO3S/c1-5-25-21(24)19-15(4)22(16-9-8-13(2)14(3)11-16)20(23)18(19)12-17-7-6-10-26-17/h6-12H,5H2,1-4H3/b18-12-InChIKey
KZRPDXDRDHBUQG-PDGQHHTCSA-NSynonyms
(Z)ethyl1(34dimethylphenyl)2methyl5oxo4(thiophen2ylmethylene)45dihydro1Hpyrrole3carboxylate
CCOC(=O)C1=C(C)N(C(=O)C1=Cc1cccs1)c1ccc(c(c1)C)C
CCOC(=O)C1=C(N(C(=O)C1=CC2=CC=CS2)C3=CC(=C(C=C3)C)C)C
ETHYL(4Z)1(34DIMETHYLPHENYL)2METHYL5OXO4(THIOPHEN2YLMETHYLIDENE)45DIHYDRO1HPYRROLE3CARBOXYLATE
ETHYL(4Z)1(34DIMETHYLPHENYL)2METHYL5OXO4(THIOPHEN2YLMETHYLIDENE)PYRROLE3CARBOXYLATE
InChI=1SC21H21NO3Sc152521(24)1915(4)22(169813(2)14(3)1116)20(23)18(19)121776102617h612H5H214H3b1812
MFCD01200003
ZINC000013616139
ZINC13616139
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