Vitas-M small molecule compound

3-{(Z)-[3-(2-ethylhexyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK881728
SMILES CCCCC(CN1C(=S)S/C(=C\c2c(NCC(C)C)nc3n(c2=O)cccc3C)/C1=O)CC

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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 C25H34N4O2S2 MW 486.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H34N4O2S2/c1-6-8-11-18(7-2)15-29-24(31)20(33-25(29)32)13-19-21(26-14-16(3)4)27-22-17(5)10-9-12-28(22)23(19)30/h9-10,12-13,16,18,26H,6-8,11,14-15H2,1-5H3/b20-13-
InChIKey
NDXOJHJOZHPPMV-MOSHPQCFSA-N
Synonyms
608497-09-2
(5Z)3(2ETHYLHEXYL)5((9METHYL2(2METHYLPROPYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(2ethylhexyl)5((2(isobutylamino)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3(2ethylhexyl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl2((2methylpropyl)amino)4Hpyrido(12a)pyrimidin4one
608497092
CCCCC(CC)CN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)NCC(C)C)SC1=S
CCCCC(CN1C(=S)SC(=Cc2c(NCC(C)C)nc3n(c2=O)cccc3C)C1=O)CC
InChI=1SC25H34N4O2S2c1681118(72)152924(31)20(3325(29)32)131921(261416(3)4)272217(5)1091228(22)23(19)30h9101213161826H68111415H215H3b2013
MFCD03695073
ZINC000009461341
ZINC000013715270

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.