Vitas-M small molecule compound
3-[(Z)-(3-octyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK881366
SMILES CCCCCCCCN1C(=S)S/C(=C\c2c(Oc3ccccc3)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 C26H27N3O3S2 MW 493.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O3S2/c1-2-3-4-5-6-11-17-29-25(31)21(34-26(29)33)18-20-23(32-19-13-8-7-9-14-19)27-22-15-10-12-16-28(22)24(20)30/h7-10,12-16,18H,2-6,11,17H2,1H3/b21-18-InChIKey
TWIROCJQJHNVOS-UZYVYHOESA-NSynonyms
799769-91-8(5Z)3OCTYL5((4OXO2PHENOXYPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3octyl5((4oxo2phenoxy4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3octyl4oxo2thioxo13thiazolidin5ylidene)methyl)2phenoxy4Hpyrido(12a)pyrimidin4one
799769918
CCCCCCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)OC4=CC=CC=C4)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2c(Oc3ccccc3)nc3n(c2=O)cccc3)C1=O
InChI=1SC26H27N3O3S2c12345611172925(31)21(3426(29)33)182023(3219138791419)27221510121628(22)24(20)30h710121618H261117H21H3b2118
MFCD03671295
ZINC000100941708
ZINC100941708
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