Vitas-M small molecule compound
2-{[(2,2,2-trichloro-1-{[(3-methylphenyl)carbonyl]amino}ethyl)carbamothioyl]amino}benzoic acid
Catalog ID
STK369588
SMILES S=C(NC(C(Cl)(Cl)Cl)NC(=O)c1cccc(c1)C)Nc1ccccc1C(=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 C18H16Cl3N3O3S MW 460.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16Cl3N3O3S/c1-10-5-4-6-11(9-10)14(25)23-16(18(19,20)21)24-17(28)22-13-8-3-2-7-12(13)15(26)27/h2-9,16H,1H3,(H,23,25)(H,26,27)(H2,22,24,28)InChIKey
CAAQAQBVYIRBEH-UHFFFAOYSA-NSynonyms
2(((222trichloro1(((3methylphenyl)carbonyl)amino)ethyl)carbamothioyl)amino)benzoicacid
2((222TRICHLORO1((3METHYLBENZOYL)AMINO)ETHYL)CARBAMOTHIOYLAMINO)BENZOICACID
2((THIOXO((222TRICHLORO1((3METHYLPHENYL)CARBONYLAMINO)ETHYL)AMINO)METHYL)AMINO)BENZOICACID
CC1=CC=CC(=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC=C2C(=O)O
InChI=1SC18H16Cl3N3O3Sc11054611(910)14(25)2316(18(1920)21)2417(28)2213832712(13)15(26)27h2916H1H3(H2325)(H2627)(H2222428)
MFCD00268068
ZINC000000836748
ZINC000000836749
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