Vitas-M small molecule compound

dimethyl 2-[2-(benzylamino)-1-chloro-2-thioxoethylidene]-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK692648
SMILES COC(=O)C1=C(S/C(=C(\C(=S)NCc2ccccc2)/Cl)/S1)C(=O)OC

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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 C16H14ClNO4S3 MW 415.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14ClNO4S3/c1-21-14(19)11-12(15(20)22-2)25-16(24-11)10(17)13(23)18-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,18,23)
InChIKey
FIYPFSSBNDSOQL-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC(=C(C(=S)NCC2=CC=CC=C2)Cl)S1)C(=O)OC
COC(=O)C1=C(SC(=C(C(=S)NCc2ccccc2)Cl)S1)C(=O)OC
dimethyl2(2(benzylamino)1chloro2sulfanylideneethylidene)13dithiole45dicarboxylate
dimethyl2(2(benzylamino)1chloro2thioxoethylidene)13dithiole45dicarboxylate
InChI=1SC16H14ClNO4S3c12114(19)1112(15(20)222)2516(2411)10(17)13(23)1889643579h37H8H212H3(H1823)
METHYL2(1CHLORO2(BENZYLAMINO)2THIOXOETHYLIDENE)5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD10038696
ZINC000015084448
ZINC15084448

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Available files

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