Vitas-M small molecule compound
3-({[1-(butanoylamino)-2,2,2-trichloroethyl]carbamothioyl}amino)benzoic acid
Catalog ID
STK387380
SMILES CCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)Nc1cccc(c1)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 C14H16Cl3N3O3S MW 412.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16Cl3N3O3S/c1-2-4-10(21)19-12(14(15,16)17)20-13(24)18-9-6-3-5-8(7-9)11(22)23/h3,5-7,12H,2,4H2,1H3,(H,19,21)(H,22,23)(H2,18,20,24)InChIKey
HYFDMZDXRWRUQG-UHFFFAOYSA-NSynonyms
3(((1(BUTANOYLAMINO)222TRICHLOROETHYL)CARBAMOTHIOYL)AMINO)BENZOICACID
3((1(BUTANOYLAMINO)222TRICHLOROETHYL)CARBAMOTHIOYLAMINO)BENZOICACID
3(3(1BUTYRYLAMINO222TRICHLOROETHYL)THIOUREIDO)BENZOICACID
CCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC(=C1)C(=O)O
InChI=1SC14H16Cl3N3O3Sc12410(21)1912(14(1516)17)2013(24)1896358(79)11(22)23h35712H24H21H3(H1921)(H2223)(H2182024)
MFCD00268272
ZINC000003878016
ZINC000003878018
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