Vitas-M small molecule compound
dimethyl 2-{6-ethoxy-2,2-dimethyl-1-[(2-methyl-3-nitrophenyl)carbonyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK078846
SMILES CCOc1ccc2c(c1)/C(=C/1\SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2C(=O)c1cccc(c1C)[N+](=O)[O-])(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 C28H26N2O8S3 MW 614.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O8S3/c1-7-38-15-11-12-19-17(13-15)20(27-40-21(25(32)36-5)22(41-27)26(33)37-6)23(39)28(3,4)29(19)24(31)16-9-8-10-18(14(16)2)30(34)35/h8-13H,7H2,1-6H3InChIKey
YZJSPFHUHCPZPS-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(C(=CC=C4)(N+)(=O)(O))C
CCOc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)c1cccc(c1C)(N+)(=O)(O))(C)C
DIMETHYL2(6ETHOXY22DIMETHYL1((2METHYL3NITROPHENYL)CARBONYL)3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(6ETHOXY22DIMETHYL1(2METHYL3NITROBENZOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(6ethoxy22dimethyl1(2methyl3nitrobenzoyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC28H26N2O8S3c17381511121917(1315)20(274021(25(32)365)22(4127)26(33)376)23(39)28(34)29(19)24(31)16981018(14(16)2)30(34)35h813H7H216H3
METHYL2(6ETHOXY22DIMETHYL1((2METHYL3NITROPHENYL)CARBONYL)3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD02817129
STK078846
ZINC000100115415
ZINC100115415
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