Vitas-M small molecule compound
(5E)-5-{[5-(azepan-1-yl)furan-2-yl]methylidene}-3-(cyclohexylmethyl)-1,3-thiazolidine-2,4-dione
Catalog ID
STK115656
SMILES O=C1S/C(=C/c2ccc(o2)N2CCCCCC2)/C(=O)N1CC1CCCCC1
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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 C21H28N2O3S MW 388.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N2O3S/c24-20-18(27-21(25)23(20)15-16-8-4-3-5-9-16)14-17-10-11-19(26-17)22-12-6-1-2-7-13-22/h10-11,14,16H,1-9,12-13,15H2/b18-14+InChIKey
IDVSWXUKLMDRIR-NBVRZTHBSA-NSynonyms
(5E)5((5(AZEPAN1YL)FURAN2YL)METHYLIDENE)3(CYCLOHEXYLMETHYL)13THIAZOLIDINE24DIONE
C1CCCN(CC1)C2=CC=C(O2)C=C3C(=O)N(C(=O)S3)CC4CCCCC4
InChI=1SC21H28N2O3Sc242018(2721(25)23(20)15168435916)1417101119(2617)221261271322h10111416H19121315H2b1814+
MFCD04128397
O=C1SC(=Cc2ccc(o2)N2CCCCCC2)C(=O)N1CC1CCCCC1
ZINC000004690630
ZINC04690630
ZINC4690630
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