Vitas-M small molecule compound
2-(cyclohexylamino)-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK816611
SMILES C=CCN1C(=S)S/C(=C\c2c(NC3CCCCC3)nc3n(c2=O)cccc3)/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 C21H22N4O2S2 MW 426.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2S2/c1-2-11-25-20(27)16(29-21(25)28)13-15-18(22-14-8-4-3-5-9-14)23-17-10-6-7-12-24(17)19(15)26/h2,6-7,10,12-14,22H,1,3-5,8-9,11H2/b16-13-InChIKey
RHEXXOJNRICIIB-SSZFMOIBSA-NSynonyms
(5Z)5((2(CYCLOHEXYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN4ONE
2(cyclohexylamino)3((Z)(4oxo3(prop2en1yl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
C=CCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)NC4CCCCC4)SC1=S
C=CCN1C(=S)SC(=Cc2c(NC3CCCCC3)nc3n(c2=O)cccc3)C1=O
InChI=1SC21H22N4O2S2c12112520(27)16(2921(25)28)131518(22148435914)231710671224(17)19(15)26h26710121422H1358911H2b1613
MFCD04446093
ZINC000016733565
ZINC16733565
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