Vitas-M small molecule compound
dimethyl 2-[1-(biphenyl-4-ylcarbonyl)-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK008120
SMILES COC(=O)C1=C(S/C(=C/2\c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)c2ccc(cc2)c2ccccc2)C)/S1)C(=O)OC
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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 C33H29NO5S3 MW 615.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29NO5S3/c1-18-16-23-24(17-19(18)2)34(29(35)22-14-12-21(13-15-22)20-10-8-7-9-11-20)33(3,4)28(40)25(23)32-41-26(30(36)38-5)27(42-32)31(37)39-6/h7-17H,1-6H3InChIKey
PVWHRXOIDQYHCK-UHFFFAOYSA-NSynonyms
332019-84-8332019848
CC1=C(C=C2C(=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C4=CC=C(C=C4)C5=CC=CC=C5)(C)C)C
COC(=O)C1=C(SC(=C2c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)c2ccc(cc2)c2ccccc2)C)S1)C(=O)OC
dimethyl2(1((11biphenyl)4carbonyl)2267tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
dimethyl2(1(biphenyl4ylcarbonyl)2267tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
dimethyl2(2267tetramethyl1(4phenylbenzoyl)3sulfanylidenequinolin4ylidene)13dithiole45dicarboxylate
InChI=1SC33H29NO5S3c118162324(1719(18)2)34(29(35)22141221(131522)20108791120)33(34)28(40)25(23)324126(30(36)385)27(4232)31(37)396h717H16H3
MFCD01171531
STK008120
ZINC000008456935
ZINC08456935
ZINC8456935
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.