Vitas-M small molecule compound
2-{2,5-dimethyl-3-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK159656
SMILES N#Cc1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C\1/SC(=S)NC1=O
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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 C19H17N3OS3 MW 399.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3OS3/c1-10-7-12(8-16-17(23)21-19(24)26-16)11(2)22(10)18-14(9-20)13-5-3-4-6-15(13)25-18/h7-8H,3-6H2,1-2H3,(H,21,23,24)/b16-8+InChIKey
UEWTZZWGWCVSDZ-LZYBPNLTSA-NSynonyms
(Z)2(25dimethyl3((4oxo2thioxothiazolidin5ylidene)methyl)1Hpyrrol1yl)4567tetrahydrobenzo(b)thiophene3carbonitrile
2(25dimethyl3((E)(4oxo2sulfanylidene13thiazolidin5ylidene)methyl)pyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
2(25dimethyl3((E)(4oxo2thioxo13thiazolidin5ylidene)methyl)1Hpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)C=C4C(=O)NC(=S)S4
InChI=1SC19H17N3OS3c110712(81617(23)2119(24)2616)11(2)22(10)1814(920)13534615(13)2518h78H36H212H3(H212324)b168+
MFCD02241144
N#Cc1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C1SC(=S)NC1=O
ZINC000004696370
ZINC04696370
ZINC4696370
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