Vitas-M small molecule compound
(2E)-2-cyano-3-[3-nitro-4-(pyrimidin-2-ylsulfanyl)phenyl]-N-phenylprop-2-enamide
Catalog ID
STL405723
SMILES N#C/C(=C\c1ccc(c(c1)[N+](=O)[O-])Sc1ncccn1)/C(=O)Nc1ccccc1
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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 C20H13N5O3S MW 403.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13N5O3S/c21-13-15(19(26)24-16-5-2-1-3-6-16)11-14-7-8-18(17(12-14)25(27)28)29-20-22-9-4-10-23-20/h1-12H,(H,24,26)/b15-11+InChIKey
SJZPSLAXQZHJIO-RVDMUPIBSA-NSynonyms
(2E)2cyano3(3nitro4(pyrimidin2ylsulfanyl)phenyl)Nphenylprop2enamide
(E)2CYANO3(3NITRO4PYRIMIDIN2YLSULFANYLPHENYL)NPHENYLPROP2ENAMIDE
C1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)SC3=NC=CC=N3)(N+)(=O)(O))C#N
InChI=1SC20H13N5O3Sc211315(19(26)24165213616)11147818(17(1214)25(27)28)29202294102320h112H(H2426)b1511+
MFCD04227300
N#CC(=Cc1ccc(c(c1)(N+)(=O)(O))Sc1ncccn1)C(=O)Nc1ccccc1
ZINC000001408073
ZINC1408073
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