Vitas-M small molecule compound
ethyl (5Z)-5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-2-[(4-ethylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL374687
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)CC)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 C28H28N2O3S MW 472.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O3S/c1-5-20-12-14-22(15-13-20)29-27-25(28(32)33-6-2)26(31)24(34-27)17-21-16-18(3)30(19(21)4)23-10-8-7-9-11-23/h7-17,29H,5-6H2,1-4H3/b24-17-InChIKey
BGWVZQCFFHGGML-ULJHMMPZSA-NSynonyms
CCC1=CC=C(C=C1)NC2=C(C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=CC=C4)C)S2)C(=O)OCC
CCOC(=O)C1=C(Nc2ccc(cc2)CC)SC(=Cc2cc(n(c2C)c2ccccc2)C)C1=O
ethyl(5Z)5((25dimethyl1phenyl1Hpyrrol3yl)methylidene)2((4ethylphenyl)amino)4oxo45dihydrothiophene3carboxylate
ETHYL(5Z)5((25DIMETHYL1PHENYLPYRROL3YL)METHYLIDENE)2(4ETHYLANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL5((25DIMETHYL1PHENYL1HPYRROL3YL)METHYLENE)2(4ETHYLANILINO)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC28H28N2O3Sc1520121422(151320)292725(28(32)3362)26(31)24(3427)17211618(3)30(19(21)4)23108791123h71729H56H214H3b2417
MFCD02787430
ZINC000002164279
ZINC02164279
ZINC2164279
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