Vitas-M small molecule compound
dimethyl 2-{6-chloro-1-[(3-methoxyphenyl)carbonyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK138296
SMILES COc1cccc(c1)C(=O)N1c2ccc(cc2/C(=C\2/SC(=C(S2)C(=O)OC)C(=O)OC)/C(=S)C1(C)C)Cl
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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 C26H22ClNO6S3 MW 576.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClNO6S3/c1-26(2)21(35)18(25-36-19(23(30)33-4)20(37-25)24(31)34-5)16-12-14(27)9-10-17(16)28(26)22(29)13-7-6-8-15(11-13)32-3/h6-12H,1-5H3InChIKey
UTHMBJJHTSWDPQ-UHFFFAOYSA-NSynonyms
CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)C4=CC(=CC=C4)OC)C=CC(=C3)Cl)C
COc1cccc(c1)C(=O)N1c2ccc(cc2C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C(=S)C1(C)C)Cl
DIMETHYL2(6CHLORO1((3METHOXYPHENYL)CARBONYL)22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(6CHLORO1(3METHOXYBENZOYL)22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(6CHLORO1(3METHOXYBENZOYL)22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(6chloro1(3methoxybenzoyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC26H22ClNO6S3c126(2)21(35)18(253619(23(30)334)20(3725)24(31)345)161214(27)91017(16)28(26)22(29)1376815(1113)323h612H15H3
MFCD02236372
ZINC000008433035
ZINC08433035
ZINC8433035
Check stock
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Check stock on Vitas-MAvailable files
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