Vitas-M small molecule compound
2-chloro-5-({[(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid
Catalog ID
STK017941
SMILES O=C(NC(=S)Nc1ccc(c(c1)C(=O)O)Cl)/C=C/c1ccc(cc1Cl)Cl
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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 C17H11Cl3N2O3S MW 429.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11Cl3N2O3S/c18-10-3-1-9(14(20)7-10)2-6-15(23)22-17(26)21-11-4-5-13(19)12(8-11)16(24)25/h1-8H,(H,24,25)(H2,21,22,23,26)/b6-2+InChIKey
PEUHTJBWHYZMKU-QHHAFSJGSA-NSynonyms
532947-57-22CHLORO5((((2E)3(24DICHLOROPHENYL)PROP2ENOYL)CARBAMOTHIOYL)AMINO)BENZOICACID
2CHLORO5(((E)3(24DICHLOROPHENYL)PROP2ENOYL)CARBAMOTHIOYLAMINO)BENZOICACID
532947572
C1=CC(=C(C=C1NC(=S)NC(=O)C=CC2=C(C=C(C=C2)Cl)Cl)C(=O)O)Cl
InChI=1SC17H11Cl3N2O3Sc1810319(14(20)710)2615(23)2217(26)21114513(19)12(811)16(24)25h18H(H2425)(H221222326)b62+
MFCD03573791
O=C(NC(=S)Nc1ccc(c(c1)C(=O)O)Cl)C=Cc1ccc(cc1Cl)Cl
STK017941
ZINC000008985028
ZINC8985028
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