Vitas-M small molecule compound
ethyl (2Z)-2-[2,2-dimethyl-1-(phenylacetyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate
Catalog ID
STK789359
SMILES CCOC(=O)C1=C(S/C(=C/2\c3ccccc3N(C(C2=S)(C)C)C(=O)Cc2ccccc2)/S1)c1ccccc1
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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 C31H27NO3S3 MW 557.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27NO3S3/c1-4-35-29(34)27-26(21-15-9-6-10-16-21)37-30(38-27)25-22-17-11-12-18-23(22)32(31(2,3)28(25)36)24(33)19-20-13-7-5-8-14-20/h5-18H,4,19H2,1-3H3/b30-25-InChIKey
XVOOBJWABXRHSG-JVCXMKTPSA-NSynonyms
(Z)ethyl2(22dimethyl1(2phenylacetyl)3thioxo23dihydroquinolin4(1H)ylidene)5phenyl13dithiole4carboxylate
CCOC(=O)C1=C(SC(=C2C3=CC=CC=C3N(C(C2=S)(C)C)C(=O)CC4=CC=CC=C4)S1)C5=CC=CC=C5
CCOC(=O)C1=C(SC(=C2c3ccccc3N(C(C2=S)(C)C)C(=O)Cc2ccccc2)S1)c1ccccc1
ETHYL(2Z)2(22DIMETHYL1(2PHENYLACETYL)3SULFANYLIDENEQUINOLIN4YLIDENE)5PHENYL13DITHIOLE4CARBOXYLATE
ethyl(2Z)2(22dimethyl1(phenylacetyl)3thioxo23dihydroquinolin4(1H)ylidene)5phenyl13dithiole4carboxylate
ETHYL2(22DIMETHYL1(PHENYLACETYL)3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)5PHENYL13DITHIOLE4CARBOXYLATE
InChI=1SC31H27NO3S3c143529(34)2726(211596101621)3730(3827)25221711121823(22)32(31(23)28(25)36)24(33)1920137581420h518H419H213H3b3025
MFCD01138014
ZINC000001812648
ZINC01812648
ZINC1812648
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