Vitas-M small molecule compound
6-(4-benzylpiperidin-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
STL005115
SMILES CCCN1C(=S)S/C(=C\c2c(C)c(C#N)c(=O)n(c2N2CCC(CC2)Cc2ccccc2)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 C27H30N4O2S2 MW 506.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O2S2/c1-4-12-31-26(33)23(35-27(31)34)16-21-18(2)22(17-28)25(32)29(3)24(21)30-13-10-20(11-14-30)15-19-8-6-5-7-9-19/h5-9,16,20H,4,10-15H2,1-3H3/b23-16-InChIKey
NFWWOARJCDTGAN-KQWNVCNZSA-NSynonyms
619268-72-3(Z)6(4benzylpiperidin1yl)14dimethyl2oxo5((4oxo3propyl2thioxothiazolidin5ylidene)methyl)12dihydropyridine3carbonitrile
6(4BENZYLPIPERIDIN1YL)14DIMETHYL2OXO5((Z)(4OXO3PROPYL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PYRIDINE3CARBONITRILE
6(4benzylpiperidin1yl)14dimethyl2oxo5((Z)(4oxo3propyl2thioxo13thiazolidin5ylidene)methyl)12dihydropyridine3carbonitrile
619268723
CCCN1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)C)N3CCC(CC3)CC4=CC=CC=C4)SC1=S
CCCN1C(=S)SC(=Cc2c(C)c(C#N)c(=O)n(c2N2CCC(CC2)Cc2ccccc2)C)C1=O
InChI=1SC27H30N4O2S2c14123126(33)23(3527(31)34)162118(2)22(1728)25(32)29(3)24(21)30131020(111430)15198657919h591620H41015H213H3b2316
MFCD03691786
ZINC000002253492
ZINC02253492
ZINC2253492
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