Vitas-M small molecule compound
ethyl (2Z)-2-(1-butanoyl-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
Catalog ID
STK081406
SMILES CCCC(=O)N1c2cc(C)c(cc2/C(=C/2\SC(=C(S2)C(=O)OCC)c2ccccc2)/C(=S)C1(C)C)C
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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 C29H31NO3S3 MW 537.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO3S3/c1-7-12-22(31)30-21-16-18(4)17(3)15-20(21)23(26(34)29(30,5)6)28-35-24(19-13-10-9-11-14-19)25(36-28)27(32)33-8-2/h9-11,13-16H,7-8,12H2,1-6H3/b28-23-InChIKey
CHSCOKNTZUPNSA-NFFVHWSESA-NSynonyms
(Z)ethyl2(1butyryl2267tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)5phenyl13dithiole4carboxylate
CCCC(=O)N1C2=CC(=C(C=C2C(=C3SC(=C(S3)C(=O)OCC)C4=CC=CC=C4)C(=S)C1(C)C)C)C
CCCC(=O)N1c2cc(C)c(cc2C(=C2SC(=C(S2)C(=O)OCC)c2ccccc2)C(=S)C1(C)C)C
ethyl(2Z)2(1butanoyl2267tetramethyl3sulfanylidenequinolin4ylidene)5phenyl13dithiole4carboxylate
ethyl(2Z)2(1butanoyl2267tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)5phenyl13dithiole4carboxylate
InChI=1SC29H31NO3S3c171222(31)30211618(4)17(3)1520(21)23(26(34)29(305)6)283524(1913109111419)25(3628)27(32)3382h9111316H7812H216H3b2823
MFCD01036910
STK081406
ZINC000100114332
ZINC100114332
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