Vitas-M small molecule compound
dimethyl 2-{1-[(3-chlorophenyl)carbamoyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK071855
SMILES COC(=O)C1=C(S/C(=C\2/c3ccccc3N(C(C2=S)(C)C)C(=O)Nc2cccc(c2)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 C25H21ClN2O5S3 MW 561.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O5S3/c1-25(2)20(34)17(23-35-18(21(29)32-3)19(36-23)22(30)33-4)15-10-5-6-11-16(15)28(25)24(31)27-14-9-7-8-13(26)12-14/h5-12H,1-4H3,(H,27,31)InChIKey
INXWITJFMGMJPP-UHFFFAOYSA-NSynonyms
CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)NC4=CC(=CC=C4)Cl)C
COC(=O)C1=C(SC(=C2c3ccccc3N(C(C2=S)(C)C)C(=O)Nc2cccc(c2)Cl)S1)C(=O)OC
DIMETHYL2(1((3CHLOROPHENYL)CARBAMOYL)22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1((3CHLOROPHENYL)CARBAMOYL)22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC25H21ClN2O5S3c125(2)20(34)17(233518(21(29)323)19(3623)22(30)334)1510561116(15)28(25)24(31)271497813(26)1214h512H14H3(H2731)
METHYL2(1(N(3CHLOROPHENYL)CARBAMOYL)22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD02127805
STK071855
ZINC000100114817
ZINC100114817
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Check stock on Vitas-MAvailable files
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