Vitas-M small molecule compound
dimethyl 2-{1-[(4-methoxyphenyl)carbonyl]-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK788971
SMILES COc1ccc(cc1)C(=O)N1c2ccc(cc2/C(=C\2/SC(=C(S2)C(=O)OC)C(=O)OC)/C(=S)C1(C)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/c1-14-7-12-18-17(13-14)19(26-36-20(24(30)33-5)21(37-26)25(31)34-6)22(35)27(2,3)28(18)23(29)15-8-10-16(32-4)11-9-15/h7-13H,1-6H3InChIKey
ZQJCXHMVZHEYTN-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)C4=CC=C(C=C4)OC
COc1ccc(cc1)C(=O)N1c2ccc(cc2C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C(=S)C1(C)C)C
dimethyl2(1((4methoxyphenyl)carbonyl)226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(1(4METHOXYBENZOYL)226TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(4methoxybenzoyl)226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC27H25NO6S3c1147121817(1314)19(263620(24(30)335)21(3726)25(31)346)22(35)27(23)28(18)23(29)1581016(324)11915h713H16H3
MFCD00627078
ZINC000101452319
ZINC101452319
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