Vitas-M small molecule compound
dimethyl 2-{1-[(3,4-dichlorophenyl)carbamoyl]-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK015609
SMILES COC(=O)C1=C(S/C(=C/2\c3ccc(cc3N(C(C2=S)(C)C)C(=O)Nc2ccc(c(c2)Cl)Cl)C)/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 C26H22Cl2N2O5S3 MW 609.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22Cl2N2O5S3/c1-12-6-8-14-17(10-12)30(25(33)29-13-7-9-15(27)16(28)11-13)26(2,3)21(36)18(14)24-37-19(22(31)34-4)20(38-24)23(32)35-5/h6-11H,1-5H3,(H,29,33)InChIKey
KIJOKCYPKWBUAU-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)NC4=CC(=C(C=C4)Cl)Cl)(C)C
COC(=O)C1=C(SC(=C2c3ccc(cc3N(C(C2=S)(C)C)C(=O)Nc2ccc(c(c2)Cl)Cl)C)S1)C(=O)OC
DIMETHYL2(1((34DICHLOROPHENYL)CARBAMOYL)227TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1((34DICHLOROPHENYL)CARBAMOYL)227TRIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC26H22Cl2N2O5S3c112681417(1012)30(25(33)29137915(27)16(28)1113)26(23)21(36)18(14)243719(22(31)344)20(3824)23(32)355h611H15H3(H2933)
METHYL2(1(N(34DICHLOROPHENYL)CARBAMOYL)227TRIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD02127802
STK015609
ZINC000033353900
ZINC33353900
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