Vitas-M small molecule compound
ethyl (5Z)-5-[4-(diethylamino)-2-ethoxybenzylidene]-2-[(4-ethylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL374696
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)CC)S/C(=C\c2ccc(cc2OCC)N(CC)CC)/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 C28H34N2O4S MW 494.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O4S/c1-6-19-11-14-21(15-12-19)29-27-25(28(32)34-10-5)26(31)24(35-27)17-20-13-16-22(30(7-2)8-3)18-23(20)33-9-4/h11-18,29H,6-10H2,1-5H3/b24-17-InChIKey
LKDAHCFKQSTCBM-ULJHMMPZSA-NSynonyms
CCC1=CC=C(C=C1)NC2=C(C(=O)C(=CC3=C(C=C(C=C3)N(CC)CC)OCC)S2)C(=O)OCC
CCOC(=O)C1=C(Nc2ccc(cc2)CC)SC(=Cc2ccc(cc2OCC)N(CC)CC)C1=O
ETHYL(5Z)5((4(DIETHYLAMINO)2ETHOXYPHENYL)METHYLIDENE)2(4ETHYLANILINO)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(4(diethylamino)2ethoxybenzylidene)2((4ethylphenyl)amino)4oxo45dihydrothiophene3carboxylate
ETHYL5(4(DIETHYLAMINO)2ETHOXYBENZYLIDENE)2(4ETHYLANILINO)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC28H34N2O4Sc1619111421(151219)292725(28(32)34105)26(31)24(3527)1720131622(30(72)83)1823(20)3394h111829H610H215H3b2417
MFCD02803150
ZINC000008438464
ZINC08438464
ZINC8438464
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