Vitas-M small molecule compound
methyl 2-{[(1E)-3-amino-2-cyano-1-(ethylsulfanyl)-3-oxoprop-1-en-1-yl]amino}benzoate
Catalog ID
STL134861
SMILES CCS/C(=C(/C(=O)N)\C#N)/Nc1ccccc1C(=O)OC
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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 C14H15N3O3S MW 305.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15N3O3S/c1-3-21-13(10(8-15)12(16)18)17-11-7-5-4-6-9(11)14(19)20-2/h4-7,17H,3H2,1-2H3,(H2,16,18)/b13-10+InChIKey
OCQDCNOOELXWOM-JLHYYAGUSA-NSynonyms
1325549-66-31325549663
CCSC(=C(C#N)C(=O)N)NC1=CC=CC=C1C(=O)OC
CCSC(=C(C(=O)N)C#N)Nc1ccccc1C(=O)OC
InChI=1SC14H15N3O3Sc132113(10(815)12(16)18)171175469(11)14(19)202h4717H3H212H3(H21618)b1310+
methyl2(((1E)3amino2cyano1(ethylsulfanyl)3oxoprop1en1yl)amino)benzoate
methyl2(((E)3amino2cyano1ethylsulfanyl3oxoprop1enyl)amino)benzoate
MFCD19705770
ZINC000067172692
ZINC67172692
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