Vitas-M small molecule compound
dimethyl 2-{1-[(3-chloro-1-benzothiophen-2-yl)carbonyl]-6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK097270
SMILES CCOc1ccc2c(c1)/C(=C\1/SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2C(=O)c1sc2c(c1Cl)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 C29H24ClNO6S4 MW 646.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24ClNO6S4/c1-6-37-14-11-12-17-16(13-14)19(28-40-22(26(33)35-4)23(41-28)27(34)36-5)24(38)29(2,3)31(17)25(32)21-20(30)15-9-7-8-10-18(15)39-21/h7-13H,6H2,1-5H3InChIKey
IJESUCLORDKNMP-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=C(C5=CC=CC=C5S4)Cl
CCOc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)c1sc2c(c1Cl)cccc2)(C)C
DIMETHYL2(1((3CHLORO1BENZOTHIEN2YL)CARBONYL)6ETHOXY22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1((3CHLORO1BENZOTHIOPHEN2YL)CARBONYL)6ETHOXY22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(3CHLORO1BENZOTHIOPHENE2CARBONYL)6ETHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(3chlorobenzo(b)thiophene2carbonyl)6ethoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC29H24ClNO6S4c16371411121716(1314)19(284022(26(33)354)23(4128)27(34)365)24(38)29(23)31(17)25(32)2120(30)159781018(15)3921h713H6H215H3
METHYL2(1((3CHLOROBENZO(B)THIOPHEN2YL)CARBONYL)6ETHOXY22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01945284
STK097270
ZINC000008432150
ZINC08432150
ZINC8432150
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