Vitas-M small molecule compound
(2E)-N-[(3-nitrophenyl)carbamothioyl]-3-phenylprop-2-enamide
Catalog ID
STK042976
SMILES S=C(Nc1cccc(c1)[N+](=O)[O-])NC(=O)/C=C/c1ccccc1
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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 C16H13N3O3S MW 327.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O3S/c20-15(10-9-12-5-2-1-3-6-12)18-16(23)17-13-7-4-8-14(11-13)19(21)22/h1-11H,(H2,17,18,20,23)/b10-9+InChIKey
AKGAAPZENNXCLP-MDZDMXLPSA-NSynonyms
(2E)N(((3NITROPHENYL)AMINO)THIOXOMETHYL)3PHENYLPROP2ENAMIDE
(2E)N((3NITROPHENYL)CARBAMOTHIOYL)3PHENYLPROP2ENAMIDE
(E)N((3NITROPHENYL)CARBAMOTHIOYL)3PHENYLPROP2ENAMIDE
C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC(=CC=C2)(N+)(=O)(O)
InChI=1SC16H13N3O3Sc2015(109125213612)1816(23)171374814(1113)19(21)22h111H(H217182023)b109+
MFCD00635286
S=C(Nc1cccc(c1)(N+)(=O)(O))NC(=O)C=Cc1ccccc1
STK042976
ZINC000000491524
ZINC00491524
ZINC491524
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