Vitas-M small molecule compound
6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxo-5-[(Z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1,2-dihydropyridine-3-carbonitrile
Catalog ID
STL001830
SMILES CCCN1C(=S)S/C(=C\c2c(C)c(C#N)c(=O)n(c2N2CCN(CC2)CC)C)/C1=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 C21H27N5O2S2 MW 445.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O2S2/c1-5-7-26-20(28)17(30-21(26)29)12-15-14(3)16(13-22)19(27)23(4)18(15)25-10-8-24(6-2)9-11-25/h12H,5-11H2,1-4H3/b17-12-InChIKey
IWLPHXNGRGBGJQ-ATVHPVEESA-NSynonyms
620149-85-1(Z)6(4ethylpiperazin1yl)14dimethyl2oxo5((4oxo3propyl2thioxothiazolidin5ylidene)methyl)12dihydropyridine3carbonitrile
6(4ETHYLPIPERAZIN1YL)14DIMETHYL2OXO5((Z)(4OXO3PROPYL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PYRIDINE3CARBONITRILE
6(4ethylpiperazin1yl)14dimethyl2oxo5((Z)(4oxo3propyl2thioxo13thiazolidin5ylidene)methyl)12dihydropyridine3carbonitrile
620149851
CCCN1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)C)N3CCN(CC3)CC)SC1=S
CCCN1C(=S)SC(=Cc2c(C)c(C#N)c(=O)n(c2N2CCN(CC2)CC)C)C1=O
InChI=1SC21H27N5O2S2c1572620(28)17(3021(26)29)121514(3)16(1322)19(27)23(4)18(15)2510824(62)91125h12H511H214H3b1712
MFCD03693561
ZINC000002255905
ZINC2255905
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