Vitas-M small molecule compound
ethyl (5Z)-5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-2-[(4-ethoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL374719
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)OCC)S/C(=C\c2cc(n(c2C)c2ccccc2)C)/C1=O
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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 C28H28N2O4S MW 488.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O4S/c1-5-33-23-14-12-21(13-15-23)29-27-25(28(32)34-6-2)26(31)24(35-27)17-20-16-18(3)30(19(20)4)22-10-8-7-9-11-22/h7-17,29H,5-6H2,1-4H3/b24-17-InChIKey
OOOZSHIUIVUHLU-ULJHMMPZSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)OCC)SC(=Cc2cc(n(c2C)c2ccccc2)C)C1=O
CCOC1=CC=C(C=C1)NC2=C(C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=CC=C4)C)S2)C(=O)OCC
ethyl(5Z)5((25dimethyl1phenyl1Hpyrrol3yl)methylidene)2((4ethoxyphenyl)amino)4oxo45dihydrothiophene3carboxylate
ETHYL(5Z)5((25DIMETHYL1PHENYLPYRROL3YL)METHYLIDENE)2(4ETHOXYANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL5((25DIMETHYL1PHENYL1HPYRROL3YL)METHYLENE)2(4ETHOXYANILINO)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC28H28N2O4Sc153323141221(131523)292725(28(32)3462)26(31)24(3527)17201618(3)30(19(20)4)22108791122h71729H56H214H3b2417
MFCD02636855
ZINC000002969417
ZINC02969417
ZINC2969417
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