Vitas-M small molecule compound
ethyl (2Z)-2-(1-butanoyl-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
Catalog ID
STK789360
SMILES CCCC(=O)N1c2ccc(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 C28H29NO3S3 MW 523.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO3S3/c1-6-11-21(30)29-20-15-14-17(3)16-19(20)22(25(33)28(29,4)5)27-34-23(18-12-9-8-10-13-18)24(35-27)26(31)32-7-2/h8-10,12-16H,6-7,11H2,1-5H3/b27-22-InChIKey
WSFJMLANTDAMEC-QYQHSDTDSA-NSynonyms
331973-73-0(Z)ethyl2(1butyryl226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)5phenyl13dithiole4carboxylate
331973730
CCCC(=O)N1C2=C(C=C(C=C2)C)C(=C3SC(=C(S3)C(=O)OCC)C4=CC=CC=C4)C(=S)C1(C)C
CCCC(=O)N1c2ccc(cc2C(=C2SC(=C(S2)C(=O)OCC)c2ccccc2)C(=S)C1(C)C)C
ETHYL(2Z)2(1BUTANOYL226TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)5PHENYL13DITHIOLE4CARBOXYLATE
ethyl(2Z)2(1butanoyl226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)5phenyl13dithiole4carboxylate
ETHYL2(1BUTYRYL226TRIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)5PHENYL13DITHIOLE4CARBOXYLATE
InChI=1SC28H29NO3S3c161121(30)2920151417(3)1619(20)22(25(33)28(294)5)273423(181298101318)24(3527)26(31)3272h8101216H6711H215H3b2722
MFCD01138017
ZINC000002059470
ZINC02059470
ZINC2059470
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