Vitas-M small molecule compound
2-(cyclohexylamino)-3-[(Z)-(3-octyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK704071
SMILES CCCCCCCCN1C(=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 C26H34N4O2S2 MW 498.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N4O2S2/c1-2-3-4-5-6-11-17-30-25(32)21(34-26(30)33)18-20-23(27-19-13-8-7-9-14-19)28-22-15-10-12-16-29(22)24(20)31/h10,12,15-16,18-19,27H,2-9,11,13-14,17H2,1H3/b21-18-InChIKey
HAQDSYMLZJYDFK-UZYVYHOESA-NSynonyms
(5Z)5((2(CYCLOHEXYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3OCTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
2(cyclohexylamino)3((Z)(3octyl4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CCCCCCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)NC4CCCCC4)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2c(NC3CCCCC3)nc3n(c2=O)cccc3)C1=O
InChI=1SC26H34N4O2S2c12345611173025(32)21(3426(30)33)182023(2719138791419)28221510121629(22)24(20)31h10121516181927H2911131417H21H3b2118
MFCD04542799
ZINC000097946670
ZINC97946670
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