Vitas-M small molecule compound
methyl (4Z)-1-(4-ethoxyphenyl)-2-methyl-4-[(3-methylthiophen-2-yl)methylidene]-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK825870
SMILES CCOc1ccc(cc1)N1C(=O)/C(=C\c2sccc2C)/C(=C1C)C(=O)OC
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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 C21H21NO4S MW 383.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO4S/c1-5-26-16-8-6-15(7-9-16)22-14(3)19(21(24)25-4)17(20(22)23)12-18-13(2)10-11-27-18/h6-12H,5H2,1-4H3/b17-12-InChIKey
QROAIIPKPANVRW-ATVHPVEESA-NSynonyms
(Z)methyl1(4ethoxyphenyl)2methyl4((3methylthiophen2yl)methylene)5oxo45dihydro1Hpyrrole3carboxylate
1(4ETHOXYPHENYL)2METHYL4(1(3METHYLTHIOPHEN2YL)METH(Z)YLIDENE)5OXO45DIHYDRO1HPYRROLE3CARBOXYLICACIDMETHYLESTER
CCOC1=CC=C(C=C1)N2C(=C(C(=CC3=C(C=CS3)C)C2=O)C(=O)OC)C
CCOc1ccc(cc1)N1C(=O)C(=Cc2sccc2C)C(=C1C)C(=O)OC
InChI=1SC21H21NO4Sc1526168615(7916)2214(3)19(21(24)254)17(20(22)23)121813(2)10112718h612H5H214H3b1712
methyl(4Z)1(4ethoxyphenyl)2methyl4((3methylthiophen2yl)methylidene)5oxo45dihydro1Hpyrrole3carboxylate
METHYL(4Z)1(4ETHOXYPHENYL)2METHYL4((3METHYLTHIOPHEN2YL)METHYLIDENE)5OXOPYRROLE3CARBOXYLATE
MFCD02623645
ZINC000000631847
ZINC00631847
ZINC631847
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