Vitas-M small molecule compound
methyl (2Z)-5-phenyl-2-[2,2,6,7-tetramethyl-1-(phenylcarbonyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4-carboxylate
Catalog ID
STK036153
SMILES COC(=O)C1=C(S/C(=C/2\c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)c2ccccc2)C)/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/c1-18-16-22-23(17-19(18)2)32(28(33)21-14-10-7-11-15-21)31(3,4)27(36)24(22)30-37-25(20-12-8-6-9-13-20)26(38-30)29(34)35-5/h6-17H,1-5H3/b30-24-InChIKey
DMCFCNWZOFVTBW-KRUMMXJUSA-NSynonyms
(Z)methyl2(1benzoyl2267tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)5phenyl13dithiole4carboxylate
CC1=C(C=C2C(=C1)C(=C3SC(=C(S3)C(=O)OC)C4=CC=CC=C4)C(=S)C(N2C(=O)C5=CC=CC=C5)(C)C)C
COC(=O)C1=C(SC(=C2c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)c2ccccc2)C)S1)c1ccccc1
InChI=1SC31H27NO3S3c118162223(1719(18)2)32(28(33)2114107111521)31(34)27(36)24(22)303725(20128691320)26(3830)29(34)355h617H15H3b3024
methyl(2Z)2(1benzoyl2267tetramethyl3sulfanylidenequinolin4ylidene)5phenyl13dithiole4carboxylate
methyl(2Z)5phenyl2(2267tetramethyl1(phenylcarbonyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole4carboxylate
MFCD01562294
STK036153
ZINC000001840921
ZINC01840921
ZINC1840921
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