Vitas-M small molecule compound
ethyl (4Z)-2-methyl-1-(4-methylphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK168457
SMILES CCOC(=O)C1=C(C)N(C(=O)/C/1=C\c1cccs1)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/c1-4-24-20(23)18-14(3)21(15-9-7-13(2)8-10-15)19(22)17(18)12-16-6-5-11-25-16/h5-12H,4H2,1-3H3/b17-12-InChIKey
HQEVAWZHUQQXMP-ATVHPVEESA-NSynonyms
CCOC(=O)C1=C(C)N(C(=O)C1=Cc1cccs1)c1ccc(cc1)C
CCOC(=O)C1=C(N(C(=O)C1=CC2=CC=CS2)C3=CC=C(C=C3)C)C
ETHYL(4Z)2METHYL1(4METHYLPHENYL)5OXO4(THIOPHEN2YLMETHYLIDENE)45DIHYDRO1HPYRROLE3CARBOXYLATE
ETHYL(4Z)2METHYL1(4METHYLPHENYL)5OXO4(THIOPHEN2YLMETHYLIDENE)PYRROLE3CARBOXYLATE
ETHYL2METHYL1(4METHYLPHENYL)5OXO4(2THIENYLMETHYLENE)45DIHYDRO1HPYRROLE3CARBOXYLATE
InChI=1SC20H19NO3Sc142420(23)1814(3)21(159713(2)81015)19(22)17(18)121665112516h512H4H213H3b1712
MFCD03711235
ZINC000012729723
ZINC12729723
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