Vitas-M small molecule compound
ethyl (5E)-5-[(2Z)-3-amino-2-cyano-3-(morpholin-4-yl)prop-2-en-1-ylidene]-2-methyl-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL298262
SMILES CCOC(=O)C1=C(C)S/C(=C/C(=C(/N2CCOCC2)\N)/C#N)/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 C16H19N3O4S MW 349.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N3O4S/c1-3-23-16(21)13-10(2)24-12(14(13)20)8-11(9-17)15(18)19-4-6-22-7-5-19/h8H,3-7,18H2,1-2H3/b12-8+,15-11-InChIKey
HKCZIIJGJJZNCR-KJNPNZLNSA-NSynonyms
(E)ethyl5((Z)3amino2cyano3morpholinoallylidene)2methyl4oxo45dihydrothiophene3carboxylate
CCOC(=O)C1=C(C)SC(=CC(=C(N2CCOCC2)N)C#N)C1=O
CCOC(=O)C1=C(SC(=CC(=C(N)N2CCOCC2)C#N)C1=O)C
ethyl(5E)5((2Z)3amino2cyano3(morpholin4yl)prop2en1ylidene)2methyl4oxo45dihydrothiophene3carboxylate
ETHYL(5E)5((Z)3AMINO2CYANO3MORPHOLIN4YLPROP2ENYLIDENE)2METHYL4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC16H19N3O4Sc132316(21)1310(2)2412(14(13)20)811(917)15(18)1946227519h8H3718H212H3b128+1511
MFCD01558781
ZINC000000497295
ZINC00497295
ZINC497295
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