Vitas-M small molecule compound
dimethyl 2-{1-[(3-chlorophenyl)carbamoyl]-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK086598
SMILES COC(=O)C1=C(S/C(=C/2\c3cc(C)ccc3N(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 C26H23ClN2O5S3 MW 575.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN2O5S3/c1-13-9-10-17-16(11-13)18(24-36-19(22(30)33-4)20(37-24)23(31)34-5)21(35)26(2,3)29(17)25(32)28-15-8-6-7-14(27)12-15/h6-12H,1-5H3,(H,28,32)InChIKey
JRNDMKNANHSFJN-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)NC4=CC(=CC=C4)Cl
COC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)Nc2cccc(c2)Cl)S1)C(=O)OC
DIMETHYL2(1((3CHLOROPHENYL)CARBAMOYL)226TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1((3CHLOROPHENYL)CARBAMOYL)226TRIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC26H23ClN2O5S3c1139101716(1113)18(243619(22(30)334)20(3724)23(31)345)21(35)26(23)29(17)25(32)281586714(27)1215h612H15H3(H2832)
METHYL2(1(N(3CHLOROPHENYL)CARBAMOYL)226TRIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD02240809
STK086598
ZINC000100114741
ZINC100114741
Check stock
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Check stock on Vitas-MAvailable files
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