Vitas-M small molecule compound

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

Catalog ID
STK810433
SMILES CCCCC(CN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCN(CC2)Cc2ccccc2)/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 C31H37N5O2S2 MW 575.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37N5O2S2/c1-3-5-11-23(4-2)22-36-30(38)26(40-31(36)39)20-25-28(32-27-14-9-10-15-35(27)29(25)37)34-18-16-33(17-19-34)21-24-12-7-6-8-13-24/h6-10,12-15,20,23H,3-5,11,16-19,21-22H2,1-2H3/b26-20-
InChIKey
DHQHBKRQCVCDHT-QOMWVZHYSA-N
Synonyms

(5Z)5((2(4BENZYLPIPERAZIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(2ETHYLHEXYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
2(4benzylpiperazin1yl)3((Z)(3(2ethylhexyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CCCCC(CC)CN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCN(CC4)CC5=CC=CC=C5)SC1=S
CCCCC(CN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCN(CC2)Cc2ccccc2)C1=O)CC
InChI=1SC31H37N5O2S2c1351123(42)223630(38)26(4031(36)39)202528(3227149101535(27)29(25)37)34181633(171934)2124127681324h61012152023H351116192122H212H3b2620
MFCD04599010
ZINC000097946307
ZINC000097946308

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Available files

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