Vitas-M small molecule compound
diethyl 2-{1-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]-6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789876
SMILES CCOc1ccc2c(c1)/C(=C\1/SC(=C(S1)C(=O)OCC)C(=O)OCC)/C(=S)C(N2C(=O)CSc1nc2c(o1)cccc2)(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 C31H30N2O7S4 MW 670.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2O7S4/c1-6-37-17-13-14-20-18(15-17)23(29-43-24(27(35)38-7-2)25(44-29)28(36)39-8-3)26(41)31(4,5)33(20)22(34)16-42-30-32-19-11-9-10-12-21(19)40-30/h9-15H,6-8,16H2,1-5H3InChIKey
TUHOUCFFXFOPBM-UHFFFAOYSA-NSynonyms
CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OCC)C(=O)OCC)(C)C)C(=O)CSC4=NC5=CC=CC=C5O4
CCOc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OCC)C(=O)OCC)C(=S)C(N2C(=O)CSc1nc2c(o1)cccc2)(C)C
diethyl2(1((13benzoxazol2ylsulfanyl)acetyl)6ethoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIETHYL2(1(2(13BENZOXAZOL2YLSULFANYL)ACETYL)6ETHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
diethyl2(1(2(benzo(d)oxazol2ylthio)acetyl)6ethoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC31H30N2O7S4c16371713142018(1517)23(294324(27(35)3872)25(4429)28(36)3983)26(41)31(45)33(20)22(34)1642303219119101221(19)4030h915H6816H215H3
MFCD01953611
ZINC000150440799
ZINC150440799
Check stock
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Check stock on Vitas-MAvailable files
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