Vitas-M small molecule compound

dimethyl 2-{6-methoxy-2,2-dimethyl-1-[(naphthalen-2-yloxy)acetyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK076795
SMILES COC(=O)C1=C(S/C(=C/2\c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)COc2ccc3c(c2)cccc3)/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 C31H27NO7S3 MW 621.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27NO7S3/c1-31(2)27(40)24(30-41-25(28(34)37-4)26(42-30)29(35)38-5)21-15-19(36-3)12-13-22(21)32(31)23(33)16-39-20-11-10-17-8-6-7-9-18(17)14-20/h6-15H,16H2,1-5H3
InChIKey
GRJNUKVYUUIOSL-UHFFFAOYSA-N
Synonyms

CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)COC4=CC5=CC=CC=C5C=C4)C=CC(=C3)OC)C
COC(=O)C1=C(SC(=C2c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)COc2ccc3c(c2)cccc3)S1)C(=O)OC
DIMETHYL2(6METHOXY22DIMETHYL1((NAPHTHALEN2YLOXY)ACETYL)3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(6methoxy22dimethyl1(2(naphthalen2yloxy)acetyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(6METHOXY22DIMETHYL1(2NAPHTHALEN2YLOXYACETYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC31H27NO7S3c131(2)27(40)24(304125(28(34)374)26(4230)29(35)385)211519(363)121322(21)32(31)23(33)163920111017867918(17)1420h615H16H215H3
MFCD01796143
STK076795
ZINC000033358401
ZINC33358401

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Available files

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