Vitas-M small molecule compound
2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid
Catalog ID
STK109727
SMILES S=C(Nc1ccccc1C(=O)O)NC(=O)/C=C/c1cccc(c1)[N+](=O)[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 C17H13N3O5S MW 371.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O5S/c21-15(9-8-11-4-3-5-12(10-11)20(24)25)19-17(26)18-14-7-2-1-6-13(14)16(22)23/h1-10H,(H,22,23)(H2,18,19,21,26)/b9-8+InChIKey
WZJICDDFBDLKPE-CMDGGOBGSA-NSynonyms
535946-53-32((((2E)3(3NITROPHENYL)PROP2ENOYL)CARBAMOTHIOYL)AMINO)BENZOICACID
2((((3(3NITROPHENYL)ACRYLOYL)AMINO)CARBONOTHIOYL)AMINO)BENZOICACID
2(((E)3(3NITROPHENYL)PROP2ENOYL)CARBAMOTHIOYLAMINO)BENZOICACID
535946533
C1=CC=C(C(=C1)C(=O)O)NC(=S)NC(=O)C=CC2=CC(=CC=C2)(N+)(=O)(O)
InChI=1SC17H13N3O5Sc2115(981143512(1011)20(24)25)1917(26)1814721613(14)16(22)23h110H(H2223)(H218192126)b98+
MFCD03571876
S=C(Nc1ccccc1C(=O)O)NC(=O)C=Cc1cccc(c1)(N+)(=O)(O)
ZINC000002833706
ZINC2833706
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