Vitas-M small molecule compound

4-{[(2,2,2-trichloro-1-{[(2,4-dichlorophenyl)carbonyl]amino}ethyl)carbamothioyl]amino}benzoic acid

Catalog ID
STK809760
SMILES S=C(NC(C(Cl)(Cl)Cl)NC(=O)c1ccc(cc1Cl)Cl)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 C17H12Cl5N3O3S MW 515.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12Cl5N3O3S/c18-9-3-6-11(12(19)7-9)13(26)24-15(17(20,21)22)25-16(29)23-10-4-1-8(2-5-10)14(27)28/h1-7,15H,(H,24,26)(H,27,28)(H2,23,25,29)
InChIKey
ZXPAIWYKLSAARG-UHFFFAOYSA-N
Synonyms

4(((222trichloro1(((24dichlorophenyl)carbonyl)amino)ethyl)carbamothioyl)amino)benzoicacid
4((222TRICHLORO1((24DICHLOROBENZOYL)AMINO)ETHYL)CARBAMOTHIOYLAMINO)BENZOICACID
C1=CC(=CC=C1C(=O)O)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI=1SC17H12Cl5N3O3Sc1893611(12(19)79)13(26)2415(17(2021)22)2516(29)2310418(2510)14(27)28h1715H(H2426)(H2728)(H2232529)
MFCD00666713
ZINC000001232948
ZINC000001232949

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Available files

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