Vitas-M small molecule compound
dimethyl 2-{1-[(3-methoxyphenyl)carbonyl]-2,2,8-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789635
SMILES COc1cccc(c1)C(=O)N1c2c(C)cccc2/C(=C\2/SC(=C(S2)C(=O)OC)C(=O)OC)/C(=S)C1(C)C
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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 C27H25NO6S3 MW 555.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO6S3/c1-14-9-7-12-17-18(26-36-20(24(30)33-5)21(37-26)25(31)34-6)22(35)27(2,3)28(19(14)17)23(29)15-10-8-11-16(13-15)32-4/h7-13H,1-6H3InChIKey
QQPLZLUTYSDBAF-UHFFFAOYSA-NSynonyms
CC1=CC=CC2=C1N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=CC(=CC=C4)OC
COc1cccc(c1)C(=O)N1c2c(C)cccc2C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C(=S)C1(C)C
dimethyl2(1((3methoxyphenyl)carbonyl)228trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(1(3METHOXYBENZOYL)228TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(3METHOXYBENZOYL)228TRIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(3methoxybenzoyl)228trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC27H25NO6S3c11497121718(263620(24(30)335)21(3726)25(31)346)22(35)27(23)28(19(14)17)23(29)151081116(1315)324h713H16H3
METHYL5(METHOXYCARBONYL)2(1((3METHOXYPHENYL)CARBONYL)228TRIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))13DITHIOLENE4CARBOXYLATE
MFCD01559350
ZINC000008431711
ZINC08431711
ZINC8431711
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