Vitas-M small molecule compound

dimethyl 2-{2,2,6-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
STK019554
SMILES COC(=O)C1=C(S/C(=C/2\c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])/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/c1-15-6-12-19-18(14-15)21(27-39-22(25(32)36-4)23(40-27)26(33)37-5)24(38)28(2,3)29(19)20(31)13-9-16-7-10-17(11-8-16)30(34)35/h6-14H,1-5H3/b13-9+
InChIKey
UDJSQZSFQUQOIB-UKTHLTGXSA-N
Synonyms

(E)dimethyl2(226trimethyl1(3(4nitrophenyl)acryloyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
CC1=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)
COC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)C=Cc2ccc(cc2)(N+)(=O)(O))S1)C(=O)OC
DIMETHYL2(226TRIMETHYL1((2E)3(4NITROPHENYL)PROP2ENOYL)3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(226TRIMETHYL1((E)3(4NITROPHENYL)PROP2ENOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC28H24N2O7S3c1156121918(1415)21(273922(25(32)364)23(4027)26(33)375)24(38)28(23)29(19)20(31)1391671017(11816)30(34)35h614H15H3b139+
METHYL2(1((2E)3(4NITROPHENYL)PROP2ENOYL)226TRIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01543020
STK019554
ZINC000100127344
ZINC100127344

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Available files

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