Vitas-M small molecule compound
ethyl 5-[(1E)-3-amino-2-cyano-3-thioxoprop-1-en-1-yl]-4-(3-chlorobenzyl)-2-methyl-1H-pyrrole-3-carboxylate
Catalog ID
STL023295
SMILES CCOC(=O)c1c(C)[nH]c(c1Cc1cccc(c1)Cl)/C=C(/C(=S)N)\C#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 C19H18ClN3O2S MW 387.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN3O2S/c1-3-25-19(24)17-11(2)23-16(9-13(10-21)18(22)26)15(17)8-12-5-4-6-14(20)7-12/h4-7,9,23H,3,8H2,1-2H3,(H2,22,26)/b13-9+InChIKey
OEOGVXWRZFLTOD-UKTHLTGXSA-NSynonyms
CCOC(=O)C1=C(NC(=C1CC2=CC(=CC=C2)Cl)C=C(C#N)C(=S)N)C
CCOC(=O)c1c(C)(nH)c(c1Cc1cccc(c1)Cl)C=C(C(=S)N)C#N
ethyl5((1E)3amino2cyano3thioxoprop1en1yl)4(3chlorobenzyl)2methyl1Hpyrrole3carboxylate
ETHYL5((1E)3AMINO2CYANO3THIOXOPROP1ENYL)4((3CHLOROPHENYL)METHYL)2METHYLPYRROLE3CARBOXYLATE
ethyl5((E)3amino2cyano3sulfanylideneprop1enyl)4((3chlorophenyl)methyl)2methyl1Hpyrrole3carboxylate
InChI=1SC19H18ClN3O2Sc132519(24)1711(2)2316(913(1021)18(22)26)15(17)81254614(20)712h47923H38H212H3(H22226)b139+
MFCD09760678
ZINC000011690111
ZINC11690111
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