Vitas-M small molecule compound
dimethyl 2-{2,2,8-trimethyl-1-[(2E)-3-(4-nitrophenyl)prop-2-enoyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK528470
SMILES COC(=O)C1=C(S/C(=C\2/c3cccc(c3N(C(C2=S)(C)C)C(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])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 C28H24N2O7S3 MW 596.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O7S3/c1-15-7-6-8-18-20(27-39-22(25(32)36-4)23(40-27)26(33)37-5)24(38)28(2,3)29(21(15)18)19(31)14-11-16-9-12-17(13-10-16)30(34)35/h6-14H,1-5H3/b14-11+InChIKey
UGIMHBXNCTZUFM-SDNWHVSQSA-NSynonyms
(E)dimethyl2(228trimethyl1(3(4nitrophenyl)acryloyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
CC1=CC=CC2=C1N(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)
COC(=O)C1=C(SC(=C2c3cccc(c3N(C(C2=S)(C)C)C(=O)C=Cc2ccc(cc2)(N+)(=O)(O))C)S1)C(=O)OC
dimethyl2(228trimethyl1((2E)3(4nitrophenyl)prop2enoyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(228TRIMETHYL1((E)3(4NITROPHENYL)PROP2ENOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC28H24N2O7S3c1157681820(273922(25(32)364)23(4027)26(33)375)24(38)28(23)29(21(15)18)19(31)14111691217(131016)30(34)35h614H15H3b1411+
MFCD01955455
ZINC000100278295
ZINC100278295
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.