Vitas-M small molecule compound
dimethyl 2-{1-[(4-tert-butylphenyl)carbonyl]-6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK074971
SMILES CCOc1ccc2c(c1)/C(=C/1\SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2C(=O)c1ccc(cc1)C(C)(C)C)(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 C31H33NO6S3 MW 611.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33NO6S3/c1-9-38-19-14-15-21-20(16-19)22(29-40-23(27(34)36-7)24(41-29)28(35)37-8)25(39)31(5,6)32(21)26(33)17-10-12-18(13-11-17)30(2,3)4/h10-16H,9H2,1-8H3InChIKey
VSDOCGCWHMJGHW-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=CC=C(C=C4)C(C)(C)C
CCOc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)c1ccc(cc1)C(C)(C)C)(C)C
DIMETHYL2(1((4TERTBUTYLPHENYL)CARBONYL)6ETHOXY22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(4(tertbutyl)benzoyl)6ethoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(1(4TERTBUTYLBENZOYL)6ETHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(4TERTBUTYLBENZOYL)6ETHOXY22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC31H33NO6S3c19381914152120(1619)22(294023(27(34)367)24(4129)28(35)378)25(39)31(56)32(21)26(33)17101218(131117)30(23)4h1016H9H218H3
METHYL2(1((4(TERTBUTYL)PHENYL)CARBONYL)6ETHOXY22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD00808936
STK074971
ZINC000006631051
ZINC06631051
ZINC6631051
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