Vitas-M small molecule compound
2-[4-(3-chlorophenyl)piperazin-1-yl]-3-{(Z)-[3-(3-ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK798931
SMILES CCOCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2cccc(c2)Cl)/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 C28H30ClN5O3S2 MW 584.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30ClN5O3S2/c1-3-37-16-6-11-34-27(36)23(39-28(34)38)18-22-25(30-24-19(2)7-5-10-33(24)26(22)35)32-14-12-31(13-15-32)21-9-4-8-20(29)17-21/h4-5,7-10,17-18H,3,6,11-16H2,1-2H3/b23-18-InChIKey
FBYMBODDLPXHRM-NKFKGCMQSA-NSynonyms
(5Z)5((2(4(3CHLOROPHENYL)PIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(3ETHOXYPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
2(4(3chlorophenyl)piperazin1yl)3((Z)(3(3ethoxypropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl4Hpyrido(12a)pyrimidin4one
CCOCCCN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCN(CC4)C5=CC(=CC=C5)Cl)SC1=S
CCOCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2cccc(c2)Cl)C1=O
InChI=1SC28H30ClN5O3S2c1337166113427(36)23(3928(34)38)182225(302419(2)751033(24)26(22)35)32141231(131532)2194820(29)1721h457101718H361116H212H3b2318
MFCD03462149
ZINC000097946388
ZINC97946388
Check stock
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Check stock on Vitas-MAvailable files
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