Vitas-M small molecule compound
methyl (2Z)-2-(1-acetyl-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
Catalog ID
STK017691
SMILES COC(=O)C1=C(S/C(=C/2\c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)C)C)/S1)c1ccccc1
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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 C26H25NO3S3 MW 495.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25NO3S3/c1-14-12-18-19(13-15(14)2)27(16(3)28)26(4,5)23(31)20(18)25-32-21(17-10-8-7-9-11-17)22(33-25)24(29)30-6/h7-13H,1-6H3/b25-20-InChIKey
QSTSLRBVKLIRIF-QQTULTPQSA-NSynonyms
330830-42-7(Z)methyl2(1acetyl2267tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)5phenyl13dithiole4carboxylate
330830427
CC1=C(C=C2C(=C1)C(=C3SC(=C(S3)C(=O)OC)C4=CC=CC=C4)C(=S)C(N2C(=O)C)(C)C)C
COC(=O)C1=C(SC(=C2c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)C)C)S1)c1ccccc1
InChI=1SC26H25NO3S3c114121819(1315(14)2)27(16(3)28)26(45)23(31)20(18)253221(17108791117)22(3325)24(29)306h713H16H3b2520
methyl(2Z)2(1acetyl2267tetramethyl3sulfanylidenequinolin4ylidene)5phenyl13dithiole4carboxylate
methyl(2Z)2(1acetyl2267tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)5phenyl13dithiole4carboxylate
MFCD01562061
STK017691
ZINC000002181953
ZINC02181953
ZINC2181953
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