Vitas-M small molecule compound
dimethyl 2-[2,2,6-trimethyl-1-(3-methylbutanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK508660
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)CC(C)C)/S1)C(=O)OC
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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 C24H27NO5S3 MW 505.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27NO5S3/c1-12(2)10-16(26)25-15-9-8-13(3)11-14(15)17(20(31)24(25,4)5)23-32-18(21(27)29-6)19(33-23)22(28)30-7/h8-9,11-12H,10H2,1-7H3InChIKey
YDDNVEAEADYANK-UHFFFAOYSA-NSynonyms
351467-81-7351467817
CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)CC(C)C
COC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)CC(C)C)S1)C(=O)OC
DIMETHYL2(226TRIMETHYL1(3METHYLBUTANOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(226trimethyl1(3methylbutanoyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC24H27NO5S3c112(2)1016(26)25159813(3)1114(15)17(20(31)24(254)5)233218(21(27)296)19(3323)22(28)307h891112H10H217H3
MFCD01565459
ZINC000009007916
ZINC09007916
ZINC9007916
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