Vitas-M small molecule compound
2-(ethylamino)-3-[(Z)-(3-heptyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK705189
SMILES CCCCCCCN1C(=S)S/C(=C\c2c(NCC)nc3n(c2=O)cccc3C)/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 C22H28N4O2S2 MW 444.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O2S2/c1-4-6-7-8-9-12-26-21(28)17(30-22(26)29)14-16-18(23-5-2)24-19-15(3)11-10-13-25(19)20(16)27/h10-11,13-14,23H,4-9,12H2,1-3H3/b17-14-InChIKey
OKLABCJPPIOKCX-VKAVYKQESA-NSynonyms
(5Z)5((2(ETHYLAMINO)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3HEPTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
2(ethylamino)3((Z)(3heptyl4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl4Hpyrido(12a)pyrimidin4one
CCCCCCCN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)NCC)SC1=S
CCCCCCCN1C(=S)SC(=Cc2c(NCC)nc3n(c2=O)cccc3C)C1=O
InChI=1SC22H28N4O2S2c146789122621(28)17(3022(26)29)141618(2352)241915(3)11101325(19)20(16)27h1011131423H4912H213H3b1714
MFCD04446744
ZINC000003640203
ZINC3640203
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