Vitas-M small molecule compound

diethyl 2-{6-methoxy-2,2-dimethyl-1-[(2E)-3-phenylprop-2-enoyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK529438
SMILES CCOC(=O)C1=C(S/C(=C/2\c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)/C=C/c2ccccc2)/S1)C(=O)OCC

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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 C30H29NO6S3 MW 595.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29NO6S3/c1-6-36-27(33)24-25(28(34)37-7-2)40-29(39-24)23-20-17-19(35-5)14-15-21(20)31(30(3,4)26(23)38)22(32)16-13-18-11-9-8-10-12-18/h8-17H,6-7H2,1-5H3/b16-13+
InChIKey
DVQISHKFOFYEGK-DTQAZKPQSA-N
Synonyms

(E)diethyl2(1cinnamoyl6methoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
CCOC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)OC)N(C(C2=S)(C)C)C(=O)C=CC4=CC=CC=C4)S1)C(=O)OCC
CCOC(=O)C1=C(SC(=C2c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)C=Cc2ccccc2)S1)C(=O)OCC
diethyl2(6methoxy22dimethyl1((2E)3phenylprop2enoyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIETHYL2(6METHOXY22DIMETHYL1((E)3PHENYLPROP2ENOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC30H29NO6S3c163627(33)2425(28(34)3772)4029(3924)23201719(355)141521(20)31(30(34)26(23)38)22(32)1613181198101218h817H67H215H3b1613+
MFCD01956001
ZINC000097966353
ZINC97966353

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Available files

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