Vitas-M small molecule compound
2-chloro-5-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoic acid
Catalog ID
STK101194
SMILES S=C(Nc1ccc(c(c1)C(=O)O)Cl)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 C17H13ClN2O3S MW 360.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClN2O3S/c18-14-8-7-12(10-13(14)16(22)23)19-17(24)20-15(21)9-6-11-4-2-1-3-5-11/h1-10H,(H,22,23)(H2,19,20,21,24)/b9-6+InChIKey
GIZRLDQIHNGUBJ-RMKNXTFCSA-NSynonyms
433948-84-62CHLORO5((((2E)3PHENYLPROP2ENOYL)CARBAMOTHIOYL)AMINO)BENZOICACID
2CHLORO5(((E)3PHENYLPROP2ENOYL)CARBAMOTHIOYLAMINO)BENZOICACID
433948846
C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O
InChI=1SC17H13ClN2O3Sc18148712(1013(14)16(22)23)1917(24)2015(21)96114213511h110H(H2223)(H219202124)b96+
MFCD03573633
S=C(Nc1ccc(c(c1)C(=O)O)Cl)NC(=O)C=Cc1ccccc1
ZINC000003003351
ZINC3003351
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