Vitas-M small molecule compound

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

Catalog ID
STK835772
SMILES CCc1ccc(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 C26H32N2O2S2 MW 468.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O2S2/c1-2-17-5-7-18(8-6-17)13-22-24(30)28(25(31)32-22)9-3-4-23(29)27-26-14-19-10-20(15-26)12-21(11-19)16-26/h5-8,13,19-21H,2-4,9-12,14-16H2,1H3,(H,27,29)/b22-13-
InChIKey
MVIDCYPQLORZPX-XKZIYDEJSA-N
Synonyms
315243-65-3
315243653
4((5Z)5(4ethylbenzylidene)4oxo2thioxo13thiazolidin3yl)N(tricyclo(3311~37~)dec1yl)butanamide
CCC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)NC34CC5CC(C3)CC(C5)C4
CCc1ccc(cc1)C=C1SC(=S)N(C1=O)CCCC(=O)NC12CC3CC(C2)CC(C1)C3
InChI=1SC26H32N2O2S2c12175718(8617)132224(30)28(25(31)3222)93423(29)272614191020(1526)1221(1119)1626h58131921H249121416H21H3(H2729)b2213
MFCD01945376
N((3s5s7s)adamantan1yl)4((Z)5(4ethylbenzylidene)4oxo2thioxothiazolidin3yl)butanamide
N(1ADAMANTYL)4((5Z)5((4ETHYLPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANAMIDE
NADAMANTANYL4(5((4ETHYLPHENYL)METHYLENE)4OXO2THIOXO(13THIAZOLIDIN3YL))BUTANAMIDE
ZINC000012032380
ZINC12032380

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Available files

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