Vitas-M small molecule compound
4-[({2,2,2-trichloro-1-[(fluoroacetyl)amino]ethyl}carbamothioyl)amino]benzoic acid
Catalog ID
STK808550
SMILES FCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)Nc1ccc(cc1)C(=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 C12H11Cl3FN3O3S MW 402.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11Cl3FN3O3S/c13-12(14,15)10(18-8(20)5-16)19-11(23)17-7-3-1-6(2-4-7)9(21)22/h1-4,10H,5H2,(H,18,20)(H,21,22)(H2,17,19,23)InChIKey
QNKQVUJYOUZGGE-UHFFFAOYSA-NSynonyms
4(((222trichloro1((fluoroacetyl)amino)ethyl)carbamothioyl)amino)benzoicacid
4((222TRICHLORO1((2FLUOROACETYL)AMINO)ETHYL)CARBAMOTHIOYLAMINO)BENZOICACID
4(3(222TRICHLORO1(2FLUOROACETYLAMINO)ETHYL)THIOUREIDO)BENZOICACID
C1=CC(=CC=C1C(=O)O)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CF
InChI=1SC12H11Cl3FN3O3Sc1312(1415)10(188(20)516)1911(23)177316(247)9(21)22h1410H5H2(H1820)(H2122)(H2171923)
MFCD00392082
ZINC000002706947
ZINC000002706948
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