Vitas-M small molecule compound

1,4-dimethyl-2-oxo-5-{(Z)-[4-oxo-3-(3-phenylpropyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-6-(thiomorpholin-4-yl)-1,2-dihydropyridine-3-carbonitrile

Catalog ID
STK593706
SMILES N#Cc1c(C)c(/C=C/2\SC(=S)N(C2=O)CCCc2ccccc2)c(n(c1=O)C)N1CCSCC1

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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 C25H26N4O2S3 MW 510.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O2S3/c1-17-19(22(28-11-13-33-14-12-28)27(2)23(30)20(17)16-26)15-21-24(31)29(25(32)34-21)10-6-9-18-7-4-3-5-8-18/h3-5,7-8,15H,6,9-14H2,1-2H3/b21-15-
InChIKey
KILOLJRTMDPYAR-QNGOZBTKSA-N
Synonyms
620152-34-3
(Z)14dimethyl2oxo5((4oxo3(3phenylpropyl)2thioxothiazolidin5ylidene)methyl)6thiomorpholino12dihydropyridine3carbonitrile
14DIMETHYL2OXO5((Z)(4OXO3(3PHENYLPROPYL)2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)6THIOMORPHOLIN4YLPYRIDINE3CARBONITRILE
14dimethyl2oxo5((Z)(4oxo3(3phenylpropyl)2thioxo13thiazolidin5ylidene)methyl)6(thiomorpholin4yl)12dihydropyridine3carbonitrile
620152343
CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)CCCC3=CC=CC=C3)N4CCSCC4)C)C#N
InChI=1SC25H26N4O2S3c11719(22(28111333141228)27(2)23(30)20(17)1626)152124(31)29(25(32)3421)1069187435818h357815H6914H212H3b2115
MFCD03693177
N#Cc1c(C)c(C=C2SC(=S)N(C2=O)CCCc2ccccc2)c(n(c1=O)C)N1CCSCC1
ZINC000002336888
ZINC02336888
ZINC2336888

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Available files

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