Vitas-M small molecule compound

1-(2,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl (2E)-2-[4-(dimethylamino)benzylidene]hydrazinecarbimidothioate

Catalog ID
STK372102
SMILES N=C(SC1CC(=O)N(C1=O)c1cc(Cl)ccc1Cl)N/N=C/c1ccc(cc1)N(C)C

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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 C20H19Cl2N5O2S MW 464.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19Cl2N5O2S/c1-26(2)14-6-3-12(4-7-14)11-24-25-20(23)30-17-10-18(28)27(19(17)29)16-9-13(21)5-8-15(16)22/h3-9,11,17H,10H2,1-2H3,(H2,23,25)/b24-11+
InChIKey
HLQLUCNFMBPXSS-BHGWPJFGSA-N
Synonyms

(1(25dichlorophenyl)25dioxopyrrolidin3yl)N((E)(4(dimethylamino)phenyl)methylideneamino)carbamimidothioate
1(25DICHLOROPHENYL)25DIOXO3PYRROLIDINYL2(4(DIMETHYLAMINO)BENZYLIDENE)HYDRAZINECARBIMIDOTHIOATE
1(25dichlorophenyl)25dioxopyrrolidin3yl(2E)2(4(dimethylamino)benzylidene)hydrazinecarbimidothioate
3((((1E)2(4(DIMETHYLAMINO)PHENYL)1AZAVINYL)AMINO)IMINOMETHYLTHIO)1(25DICHLOROPHENYL)AZOLIDINE25DIONE
CN(C)C1=CC=C(C=C1)C=NN=C(N)SC2CC(=O)N(C2=O)C3=C(C=CC(=C3)Cl)Cl
InChI=1SC20H19Cl2N5O2Sc126(2)146312(4714)11242520(23)30171018(28)27(19(17)29)16913(21)5815(16)22h391117H10H212H3(H22325)b2411+
MFCD00574293
N=C(SC1CC(=O)N(C1=O)c1cc(Cl)ccc1Cl)NN=Cc1ccc(cc1)N(C)C
ZINC000006135773
ZINC000100496363

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.