Vitas-M small molecule compound

4-[(5Z)-5-(4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)butanamide

Catalog ID
STK805595
SMILES COc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCCC(=O)NC12CC3CC(C2)CC(C1)C3

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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 C25H30N2O3S2 MW 470.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O3S2/c1-30-20-6-4-16(5-7-20)12-21-23(29)27(24(31)32-21)8-2-3-22(28)26-25-13-17-9-18(14-25)11-19(10-17)15-25/h4-7,12,17-19H,2-3,8-11,13-15H2,1H3,(H,26,28)/b21-12-
InChIKey
NUEHYMYJNWVHIX-MTJSOVHGSA-N
Synonyms
303101-72-6
303101726
4((5Z)5(4methoxybenzylidene)4oxo2thioxo13thiazolidin3yl)N(tricyclo(3311~37~)dec1yl)butanamide
COC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)NC34CC5CC(C3)CC(C5)C4
COc1ccc(cc1)C=C1SC(=S)N(C1=O)CCCC(=O)NC12CC3CC(C2)CC(C1)C3
InChI=1SC25H30N2O3S2c130206416(5720)122123(29)27(24(31)3221)82322(28)26251317918(1425)1119(1017)1525h47121719H238111315H21H3(H2628)b2112
MFCD01839695
N((3s5s7s)adamantan1yl)4((Z)5(4methoxybenzylidene)4oxo2thioxothiazolidin3yl)butanamide
N(1ADAMANTYL)4((5Z)5((4METHOXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANAMIDE
NADAMANTANYL4(5((4METHOXYPHENYL)METHYLENE)4OXO2THIOXO(13THIAZOLIDIN3YL))BUTANAMIDE
ZINC000011667038
ZINC11667038

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.