Vitas-M small molecule compound
ethyl (5Z)-2-{[(4-tert-butylphenyl)carbonyl]amino}-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL369476
SMILES CCOC(=O)C1=C(S/C(=C\c2ccc(o2)C)/C1=O)NC(=O)c1ccc(cc1)C(C)(C)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 C24H25NO5S MW 439.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25NO5S/c1-6-29-23(28)19-20(26)18(13-17-12-7-14(2)30-17)31-22(19)25-21(27)15-8-10-16(11-9-15)24(3,4)5/h7-13H,6H2,1-5H3,(H,25,27)/b18-13-InChIKey
VENHKXANGCOQRA-AQTBWJFISA-NSynonyms
CCOC(=O)C1=C(SC(=CC2=CC=C(O2)C)C1=O)NC(=O)C3=CC=C(C=C3)C(C)(C)C
CCOC(=O)C1=C(SC(=Cc2ccc(o2)C)C1=O)NC(=O)c1ccc(cc1)C(C)(C)C
ethyl(5Z)2(((4tertbutylphenyl)carbonyl)amino)5((5methylfuran2yl)methylidene)4oxo45dihydrothiophene3carboxylate
ETHYL(5Z)2((4TERTBUTYLBENZOYL)AMINO)5((5METHYLFURAN2YL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL2((4TERTBUTYLBENZOYL)AMINO)5((5METHYL2FURYL)METHYLENE)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC24H25NO5Sc162923(28)1920(26)18(131712714(2)3017)3122(19)2521(27)1581016(11915)24(34)5h713H6H215H3(H2527)b1813
MFCD03785034
ZINC000008400729
ZINC08400729
ZINC8400729
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