Vitas-M small molecule compound
6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-2-oxo-5-{(Z)-[4-oxo-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile
Catalog ID
STK588697
SMILES CC(N1C(=S)S/C(=C\c2c(C)c(C#N)c(=O)n(c2N2CCN(CC2)Cc2ccccc2)C)/C1=O)C
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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/c1-17(2)31-25(33)22(35-26(31)34)14-20-18(3)21(15-27)24(32)28(4)23(20)30-12-10-29(11-13-30)16-19-8-6-5-7-9-19/h5-9,14,17H,10-13,16H2,1-4H3/b22-14-InChIKey
MGGPTGAFEIUTGY-HMAPJEAMSA-NSynonyms
620152-42-3(Z)6(4benzylpiperazin1yl)5((3isopropyl4oxo2thioxothiazolidin5ylidene)methyl)14dimethyl2oxo12dihydropyridine3carbonitrile
6(4benzylpiperazin1yl)14dimethyl2oxo5((Z)(4oxo3(propan2yl)2thioxo13thiazolidin5ylidene)methyl)12dihydropyridine3carbonitrile
6(4BENZYLPIPERAZIN1YL)14DIMETHYL2OXO5((Z)(4OXO3PROPAN2YL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PYRIDINE3CARBONITRILE
620152423
CC(N1C(=S)SC(=Cc2c(C)c(C#N)c(=O)n(c2N2CCN(CC2)Cc2ccccc2)C)C1=O)C
CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)C(C)C)N3CCN(CC3)CC4=CC=CC=C4)C)C#N
InChI=1SC26H29N5O2S2c117(2)3125(33)22(3526(31)34)142018(3)21(1527)24(32)28(4)23(20)30121029(111330)16198657919h591417H101316H214H3b2214
MFCD03694957
ZINC000020308051
ZINC20308051
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