Vitas-M small molecule compound

2-(4-methylphenoxy)-3-[(Z)-(3-octyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK881404
SMILES CCCCCCCCN1C(=S)S/C(=C\c2c(Oc3ccc(cc3)C)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 C27H29N3O3S2 MW 507.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O3S2/c1-3-4-5-6-7-9-17-30-26(32)22(35-27(30)34)18-21-24(33-20-14-12-19(2)13-15-20)28-23-11-8-10-16-29(23)25(21)31/h8,10-16,18H,3-7,9,17H2,1-2H3/b22-18-
InChIKey
KTXRTIBAVZVVPT-PYCFMQQDSA-N
Synonyms
796878-47-2
(5Z)5((2(4METHYLPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3OCTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3octyl5((4oxo2(ptolyloxy)4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
2(4methylphenoxy)3((Z)(3octyl4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
796878472
CCCCCCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)OC4=CC=C(C=C4)C)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2c(Oc3ccc(cc3)C)nc3n(c2=O)cccc3)C1=O
InChI=1SC27H29N3O3S2c1345679173026(32)22(3527(30)34)182124(3320141219(2)131520)2823118101629(23)25(21)31h8101618H37917H212H3b2218
MFCD03669604
ZINC000100934107
ZINC100934107

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Available files

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