Vitas-M small molecule compound

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

Catalog ID
STK703866
SMILES CCCCCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CC(C)CC(C2)C)/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 C27H36N4O2S2 MW 512.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N4O2S2/c1-4-5-6-7-8-10-14-31-26(33)22(35-27(31)34)16-21-24(29-17-19(2)15-20(3)18-29)28-23-12-9-11-13-30(23)25(21)32/h9,11-13,16,19-20H,4-8,10,14-15,17-18H2,1-3H3/b22-16-
InChIKey
NKBZSYBOCGVJKB-JWGURIENSA-N
Synonyms

(5Z)5((2(35DIMETHYLPIPERIDIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3OCTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(E)5((2(35dimethylpiperidin1yl)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3octyl2thioxothiazolidin4one
2(35dimethylpiperidin1yl)3((Z)(3octyl4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CCCCCCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CC(CC(C4)C)C)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CC(C)CC(C2)C)C1=O
InChI=1SC27H36N4O2S2c14567810143126(33)22(3527(31)34)162124(291719(2)1520(3)1829)2823129111330(23)25(21)32h91113161920H481014151718H213H3b2216
MFCD06642678
ZINC000097946642
ZINC000097946644

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Available files

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