Vitas-M small molecule compound

3-{(Z)-[3-(3-ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(4-fluorophenyl)piperazin-1-yl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK881665
SMILES CCOCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccc(cc2)F)/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 C28H30FN5O3S2 MW 567.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30FN5O3S2/c1-3-37-17-5-12-34-27(36)23(39-28(34)38)18-22-25(30-24-19(2)6-4-11-33(24)26(22)35)32-15-13-31(14-16-32)21-9-7-20(29)8-10-21/h4,6-11,18H,3,5,12-17H2,1-2H3/b23-18-
InChIKey
NCLQJURNPVOWGN-NKFKGCMQSA-N
Synonyms

(5Z)3(3ETHOXYPROPYL)5((2(4(4FLUOROPHENYL)PIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(3ethoxypropyl)5((2(4(4fluorophenyl)piperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3(3ethoxypropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2(4(4fluorophenyl)piperazin1yl)9methyl4Hpyrido(12a)pyrimidin4one
CCOCCCN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCN(CC4)C5=CC=C(C=C5)F)SC1=S
CCOCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccc(cc2)F)C1=O
InChI=1SC28H30FN5O3S2c1337175123427(36)23(3928(34)38)182225(302419(2)641133(24)26(22)35)32151331(141632)219720(29)81021h461118H351217H212H3b2318
MFCD18075933
ZINC000097947280
ZINC97947280

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Available files

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