Vitas-M small molecule compound
2-(4-benzylpiperazin-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
STK810430
SMILES CCCCCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCN(CC2)Cc2ccccc2)/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 C31H37N5O2S2 MW 575.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37N5O2S2/c1-2-3-4-5-6-11-17-36-30(38)26(40-31(36)39)22-25-28(32-27-15-10-12-16-35(27)29(25)37)34-20-18-33(19-21-34)23-24-13-8-7-9-14-24/h7-10,12-16,22H,2-6,11,17-21,23H2,1H3/b26-22-InChIKey
OUVHVQXKMKBSMB-ROMGYVFFSA-NSynonyms
(5Z)5((2(4BENZYLPIPERAZIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3OCTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
2(4benzylpiperazin1yl)3((Z)(3octyl4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CCCCCCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCN(CC4)CC5=CC=CC=C5)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCN(CC2)Cc2ccccc2)C1=O
InChI=1SC31H37N5O2S2c12345611173630(38)26(4031(36)39)222528(32271510121635(27)29(25)37)34201833(192134)2324138791424h710121622H2611172123H21H3b2622
MFCD04488673
ZINC000097946305
ZINC97946305
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