Vitas-M small molecule compound
6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-2-oxo-5-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile
Catalog ID
STL041033
SMILES N#Cc1c(C)c(/C=C/2\SC(=S)N(C2=O)CCc2ccccc2)c(n(c1=O)C)N1CCN(CC1)Cc1ccccc1
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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 C31H31N5O2S2 MW 569.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N5O2S2/c1-22-25(19-27-30(38)36(31(39)40-27)14-13-23-9-5-3-6-10-23)28(33(2)29(37)26(22)20-32)35-17-15-34(16-18-35)21-24-11-7-4-8-12-24/h3-12,19H,13-18,21H2,1-2H3/b27-19-InChIKey
DQZQOQAZDRBHLL-DIBXZPPDSA-NSynonyms
(Z)6(4benzylpiperazin1yl)14dimethyl2oxo5((4oxo3phenethyl2thioxothiazolidin5ylidene)methyl)12dihydropyridine3carbonitrile
6(4benzylpiperazin1yl)14dimethyl2oxo5((Z)(4oxo3(2phenylethyl)2sulfanylidene13thiazolidin5ylidene)methyl)pyridine3carbonitrile
6(4benzylpiperazin1yl)14dimethyl2oxo5((Z)(4oxo3(2phenylethyl)2thioxo13thiazolidin5ylidene)methyl)12dihydropyridine3carbonitrile
6(4BENZYLPIPERAZIN1YL)14DIMETHYL2OXO5((Z)(4OXO3PHENETHYL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PYRIDINE3CARBONITRILE
CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)CCC3=CC=CC=C3)N4CCN(CC4)CC5=CC=CC=C5)C)C#N
InChI=1SC31H31N5O2S2c12225(192730(38)36(31(39)4027)14132395361023)28(33(2)29(37)26(22)2032)35171534(161835)2124117481224h31219H131821H212H3b2719
MFCD03690680
N#Cc1c(C)c(C=C2SC(=S)N(C2=O)CCc2ccccc2)c(n(c1=O)C)N1CCN(CC1)Cc1ccccc1
ZINC000097947517
ZINC97947517
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