Vitas-M small molecule compound
4-[2,3-bis(1-hydroxy-2-methylprop-1-en-1-yl)-1,4,2,3-dithiadiazolidin-5-ylidene]-2,2,6-trimethyl-1,4-dihydroquinoline-3(2H)-thione
Catalog ID
STK079619
SMILES Cc1ccc2c(c1)C(=C1SN(N(S1)C(=C(C)C)O)C(=C(C)C)O)C(=S)C(N2)(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 C21H27N3O2S3 MW 449.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O2S3/c1-11(2)18(25)23-24(19(26)12(3)4)29-20(28-23)16-14-10-13(5)8-9-15(14)22-21(6,7)17(16)27/h8-10,22,25-26H,1-7H3InChIKey
DGSAHSSFYSCFMK-UHFFFAOYSA-NSynonyms
4(23bis(1hydroxy2methylprop1en1yl)1423dithiadiazolidin5ylidene)226trimethyl14dihydroquinoline3(2H)thione
4(23bis(1hydroxy2methylprop1enyl)1423dithiadiazolidin5ylidene)226trimethyl1Hquinoline3thione
CC1=CC2=C(C=C1)NC(C(=S)C2=C3SN(N(S3)C(=C(C)C)O)C(=C(C)C)O)(C)C
Cc1ccc2c(c1)C(=C1SN(N(S1)C(=C(C)C)O)C(=C(C)C)O)C(=S)C(N2)(C)C
InChI=1SC21H27N3O2S3c111(2)18(25)2324(19(26)12(3)4)2920(2823)16141013(5)8915(14)2221(67)17(16)27h810222526H17H3
MFCD01896538
STK079619
ZINC000004062559
ZINC04062559
ZINC4062559
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