Vitas-M small molecule compound
dimethyl 2-{6-ethoxy-2,2-dimethyl-1-[(2E)-3-(4-nitrophenyl)prop-2-enoyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK074544
SMILES CCOc1ccc2c(c1)/C(=C/1\SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2C(=O)/C=C/c1ccc(cc1)[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 C29H26N2O8S3 MW 626.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O8S3/c1-6-39-18-12-13-20-19(15-18)22(28-41-23(26(33)37-4)24(42-28)27(34)38-5)25(40)29(2,3)30(20)21(32)14-9-16-7-10-17(11-8-16)31(35)36/h7-15H,6H2,1-5H3/b14-9+InChIKey
CYLLFPDPWWZNOQ-NTEUORMPSA-NSynonyms
(E)dimethyl2(6ethoxy22dimethyl1(3(4nitrophenyl)acryloyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C=CC4=CC=C(C=C4)(N+)(=O)(O)
CCOc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C=Cc1ccc(cc1)(N+)(=O)(O))(C)C
DIMETHYL2(6ETHOXY22DIMETHYL1((2E)3(4NITROPHENYL)PROP2ENOYL)3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(6ETHOXY22DIMETHYL1((E)3(4NITROPHENYL)PROP2ENOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC29H26N2O8S3c16391812132019(1518)22(284123(26(33)374)24(4228)27(34)385)25(40)29(23)30(20)21(32)1491671017(11816)31(35)36h715H6H215H3b149+
METHYL2(1((2E)3(4NITROPHENYL)PROP2ENOYL)6ETHOXY22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01795968
STK074544
ZINC000150438721
ZINC150438721
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