Vitas-M small molecule compound
dimethyl 2-{8-ethoxy-2,2-dimethyl-1-[(3-nitrophenyl)carbonyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STL436003
SMILES CCOc1cccc2c1N(C(=O)c1cccc(c1)[N+](=O)[O-])C(C(=S)/C/2=C\1/SC(=C(S1)C(=O)OC)C(=O)OC)(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 C27H24N2O8S3 MW 600.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O8S3/c1-6-37-17-12-8-11-16-18(26-39-20(24(31)35-4)21(40-26)25(32)36-5)22(38)27(2,3)28(19(16)17)23(30)14-9-7-10-15(13-14)29(33)34/h7-13H,6H2,1-5H3InChIKey
UDSPRHGTQNQBOH-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC2=C1N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=CC(=CC=C4)(N+)(=O)(O)
CCOc1cccc2c1N(C(=O)c1cccc(c1)(N+)(=O)(O))C(C(=S)C2=C1SC(=C(S1)C(=O)OC)C(=O)OC)(C)C
dimethyl2(8ethoxy22dimethyl1((3nitrophenyl)carbonyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
dimethyl2(8ethoxy22dimethyl1(3nitrobenzoyl)3sulfanylidenequinolin4ylidene)13dithiole45dicarboxylate
InChI=1SC27H24N2O8S3c163717128111618(263920(24(31)354)21(4026)25(32)365)22(38)27(23)28(19(16)17)23(30)14971015(1314)29(33)34h713H6H215H3
MFCD00621810
ZINC000049745275
ZINC49745275
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