Vitas-M small molecule compound

3-[(Z)-(3-heptyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-hydroxy-2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK906703
SMILES CCCCCCCN1C(=S)S/C(=C\c2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3)/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 C27H30N4O3S2 MW 522.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O3S2/c1-2-3-4-5-10-16-31-26(34)22(36-27(31)35)17-20-24(28-18-21(32)19-12-7-6-8-13-19)29-23-14-9-11-15-30(23)25(20)33/h6-9,11-15,17,21,28,32H,2-5,10,16,18H2,1H3/b22-17-
InChIKey
FJRZPQCFLJBPRT-XLNRJJMWSA-N
Synonyms
850194-14-8
(5Z)3HEPTYL5((2((2HYDROXY2PHENYLETHYL)AMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3heptyl5((2((2hydroxy2phenylethyl)amino)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3heptyl4oxo2thioxo13thiazolidin5ylidene)methyl)2((2hydroxy2phenylethyl)amino)4Hpyrido(12a)pyrimidin4one
850194148
CCCCCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)NCC(C4=CC=CC=C4)O)SC1=S
CCCCCCCN1C(=S)SC(=Cc2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3)C1=O
InChI=1SC27H30N4O3S2c1234510163126(34)22(3627(31)35)172024(281821(32)19127681319)2923149111530(23)25(20)33h69111517212832H25101618H21H3b2217
MFCD05690942
ZINC000101220047
ZINC000101220052

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Available files

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