Vitas-M small molecule compound
dimethyl 2-{1-[(4-ethylphenoxy)acetyl]-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK103052
SMILES COC(=O)C1=C(S/C(=C/2\c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)COc2ccc(cc2)CC)C)/S1)C(=O)OC
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C30H31NO6S3 MW 597.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31NO6S3/c1-8-18-9-11-19(12-10-18)37-15-22(32)31-21-14-17(3)16(2)13-20(21)23(26(38)30(31,4)5)29-39-24(27(33)35-6)25(40-29)28(34)36-7/h9-14H,8,15H2,1-7H3InChIKey
ASQBGCWLEAKJBB-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)OCC(=O)N2C3=CC(=C(C=C3C(=C4SC(=C(S4)C(=O)OC)C(=O)OC)C(=S)C2(C)C)C)C
COC(=O)C1=C(SC(=C2c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)COc2ccc(cc2)CC)C)S1)C(=O)OC
dimethyl2(1((4ethylphenoxy)acetyl)2267tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
dimethyl2(1(2(4ethylphenoxy)acetyl)2267tetramethyl3sulfanylidenequinolin4ylidene)13dithiole45dicarboxylate
dimethyl2(1(2(4ethylphenoxy)acetyl)2267tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC30H31NO6S3c181891119(121018)371522(32)31211417(3)16(2)1320(21)23(26(38)30(314)5)293924(27(33)356)25(4029)28(34)367h914H815H217H3
MFCD03288258
ZINC000100116490
ZINC100116490
Check stock
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Check stock on Vitas-MAvailable files
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