Vitas-M small molecule compound
dimethyl 2-{1-[(4-tert-butylphenyl)carbonyl]-2,2,8-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK010438
SMILES COC(=O)C1=C(S/C(=C\2/c3cccc(c3N(C(C2=S)(C)C)C(=O)c2ccc(cc2)C(C)(C)C)C)/S1)C(=O)OC
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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 C30H31NO5S3 MW 581.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31NO5S3/c1-16-10-9-11-19-20(28-38-22(26(33)35-7)23(39-28)27(34)36-8)24(37)30(5,6)31(21(16)19)25(32)17-12-14-18(15-13-17)29(2,3)4/h9-15H,1-8H3InChIKey
RCDHZWCNYFODMS-UHFFFAOYSA-NSynonyms
CC1=CC=CC2=C1N(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
COC(=O)C1=C(SC(=C2c3cccc(c3N(C(C2=S)(C)C)C(=O)c2ccc(cc2)C(C)(C)C)C)S1)C(=O)OC
DIMETHYL2(1((4TERTBUTYLPHENYL)CARBONYL)228TRIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(4(tertbutyl)benzoyl)228trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(1(4TERTBUTYLBENZOYL)228TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(4TERTBUTYLBENZOYL)228TRIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC30H31NO5S3c116109111920(283822(26(33)357)23(3928)27(34)368)24(37)30(56)31(21(16)19)25(32)17121418(151317)29(23)4h915H18H3
METHYL2(1((4(TERTBUTYL)PHENYL)CARBONYL)228TRIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01543013
STK010438
ZINC000100127332
ZINC100127332
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