Vitas-M small molecule compound
dimethyl 2-{1-[(3,5-dimethoxyphenyl)carbonyl]-6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK133627
SMILES CCOc1ccc2c(c1)/C(=C\1/SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2C(=O)c1cc(OC)cc(c1)OC)(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 C29H29NO8S3 MW 615.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29NO8S3/c1-8-38-16-9-10-20-19(14-16)21(28-40-22(26(32)36-6)23(41-28)27(33)37-7)24(39)29(2,3)30(20)25(31)15-11-17(34-4)13-18(12-15)35-5/h9-14H,8H2,1-7H3InChIKey
BAMDSRDPHUFIIT-UHFFFAOYSA-NSynonyms
CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=CC(=CC(=C4)OC)OC
CCOc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)c1cc(OC)cc(c1)OC)(C)C
DIMETHYL2(1((35DIMETHOXYPHENYL)CARBONYL)6ETHOXY22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(35DIMETHOXYBENZOYL)6ETHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(35dimethoxybenzoyl)6ethoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC29H29NO8S3c1838169102019(1416)21(284022(26(32)366)23(4128)27(33)377)24(39)29(23)30(20)25(31)151117(344)1318(1215)355h914H8H217H3
MFCD03287980
ZINC000097999415
ZINC97999415
Check stock
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Check stock on Vitas-MAvailable files
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