Vitas-M small molecule compound
6-(4-benzylpiperazin-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
STL002598
SMILES CCCN1C(=S)S/C(=C\c2c(C)c(C#N)c(=O)n(c2N2CCN(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 C26H29N5O2S2 MW 507.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N5O2S2/c1-4-10-31-25(33)22(35-26(31)34)15-20-18(2)21(16-27)24(32)28(3)23(20)30-13-11-29(12-14-30)17-19-8-6-5-7-9-19/h5-9,15H,4,10-14,17H2,1-3H3/b22-15-InChIKey
CMZYSJHIJMZJGI-JCMHNJIXSA-NSynonyms
620152-44-5(Z)6(4benzylpiperazin1yl)14dimethyl2oxo5((4oxo3propyl2thioxothiazolidin5ylidene)methyl)12dihydropyridine3carbonitrile
6(4BENZYLPIPERAZIN1YL)14DIMETHYL2OXO5((Z)(4OXO3PROPYL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PYRIDINE3CARBONITRILE
6(4benzylpiperazin1yl)14dimethyl2oxo5((Z)(4oxo3propyl2thioxo13thiazolidin5ylidene)methyl)12dihydropyridine3carbonitrile
620152445
CCCN1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)C)N3CCN(CC3)CC4=CC=CC=C4)SC1=S
CCCN1C(=S)SC(=Cc2c(C)c(C#N)c(=O)n(c2N2CCN(CC2)Cc2ccccc2)C)C1=O
InChI=1SC26H29N5O2S2c14103125(33)22(3526(31)34)152018(2)21(1627)24(32)28(3)23(20)30131129(121430)17198657919h5915H4101417H213H3b2215
MFCD03684703
ZINC000020192913
ZINC20192913
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