Vitas-M small molecule compound
dimethyl 2-{8-methoxy-1-[(3-methoxyphenyl)carbonyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK075605
SMILES COc1cccc(c1)C(=O)N1c2c(OC)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 C27H25NO7S3 MW 571.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO7S3/c1-27(2)22(36)18(26-37-20(24(30)34-5)21(38-26)25(31)35-6)16-11-8-12-17(33-4)19(16)28(27)23(29)14-9-7-10-15(13-14)32-3/h7-13H,1-6H3InChIKey
WSEXJZJJHGYAET-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)OC)C
COc1cccc(c1)C(=O)N1c2c(OC)cccc2C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C(=S)C1(C)C
DIMETHYL2(8METHOXY1((3METHOXYPHENYL)CARBONYL)22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(8METHOXY1(3METHOXYBENZOYL)22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(8METHOXY1(3METHOXYBENZOYL)22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(8methoxy1(3methoxybenzoyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC27H25NO7S3c127(2)22(36)18(263720(24(30)345)21(3826)25(31)356)161181217(334)19(16)28(27)23(29)14971015(1314)323h713H16H3
METHYL5(METHOXYCARBONYL)2(8METHOXY1((3METHOXYPHENYL)CARBONYL)22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))13DITHIOLENE4CARBOXYLATE
MFCD01561487
STK075605
ZINC000006190981
ZINC06190981
ZINC6190981
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