Vitas-M small molecule compound
ethyl (2E)-5-amino-2-(3-methoxybenzylidene)-7-(3-methoxyphenyl)-3-oxo-6-(phenylsulfonyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Catalog ID
STK083390
SMILES CCOC(=O)C1=c2s/c(=C/c3cccc(c3)OC)/c(=O)n2C(=C(C1c1cccc(c1)OC)S(=O)(=O)c1ccccc1)N
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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 C31H28N2O7S2 MW 604.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O7S2/c1-4-40-31(35)26-25(20-11-9-13-22(18-20)39-3)27(42(36,37)23-14-6-5-7-15-23)28(32)33-29(34)24(41-30(26)33)17-19-10-8-12-21(16-19)38-2/h5-18,25H,4,32H2,1-3H3/b24-17+InChIKey
DBFIHASHGNEZHJ-JJIBRWJFSA-NSynonyms
(E)ethyl5amino2(3methoxybenzylidene)7(3methoxyphenyl)3oxo6(phenylsulfonyl)37dihydro2Hthiazolo(32a)pyridine8carboxylate
CCOC(=O)C1=C2N(C(=C(C1C3=CC(=CC=C3)OC)S(=O)(=O)C4=CC=CC=C4)N)C(=O)C(=CC5=CC(=CC=C5)OC)S2
CCOC(=O)C1=c2sc(=Cc3cccc(c3)OC)c(=O)n2C(=C(C1c1cccc(c1)OC)S(=O)(=O)c1ccccc1)N
ETHYL(2E)5AMINO2(3METHOXYBENZYLIDENE)7(3METHOXYPHENYL)3OXO6(PHENYLSULFONYL)23DIHYDRO7H(13)THIAZOLO(32A)PYRIDINE8CARBOXYLATE
ethyl(2E)5amino6(benzenesulfonyl)7(3methoxyphenyl)2((3methoxyphenyl)methylidene)3oxo7H(13)thiazolo(32a)pyridine8carboxylate
ETHYL5AMINO2(3METHOXYBENZYLIDENE)7(3METHOXYPHENYL)3OXO6(PHENYLSULFONYL)23DIHYDRO7H(13)THIAZOLO(32A)PYRIDINE8CARBOXYLATE
InChI=1SC31H28N2O7S2c144031(35)2625(201191322(1820)393)27(42(3637)23146571523)28(32)3329(34)24(4130(26)33)17191081221(1619)382h51825H432H213H3b2417+
MFCD01565007
STK083390
ZINC000008444440
ZINC000008444441
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