Vitas-M small molecule compound

dimethyl 2-{1-[(3,4-dichlorophenyl)carbamoyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK058619
SMILES COC(=O)C1=C(S/C(=C/2\c3ccccc3N(C(C2=S)(C)C)C(=O)Nc2ccc(c(c2)Cl)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 C25H20Cl2N2O5S3 MW 595.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20Cl2N2O5S3/c1-25(2)20(35)17(23-36-18(21(30)33-3)19(37-23)22(31)34-4)13-7-5-6-8-16(13)29(25)24(32)28-12-9-10-14(26)15(27)11-12/h5-11H,1-4H3,(H,28,32)
InChIKey
YNDNTZBFHRDMHI-UHFFFAOYSA-N
Synonyms

CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)NC4=CC(=C(C=C4)Cl)Cl)C
COC(=O)C1=C(SC(=C2c3ccccc3N(C(C2=S)(C)C)C(=O)Nc2ccc(c(c2)Cl)Cl)S1)C(=O)OC
DIMETHYL2(1((34DICHLOROPHENYL)CARBAMOYL)22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1((34DICHLOROPHENYL)CARBAMOYL)22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC25H20Cl2N2O5S3c125(2)20(35)17(233618(21(30)333)19(3723)22(31)344)13756816(13)29(25)24(32)281291014(26)15(27)1112h511H14H3(H2832)
METHYL2(1(N(34DICHLOROPHENYL)CARBAMOYL)22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD02234655
STK058619
ZINC000100114739
ZINC100114739

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Available files

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