Vitas-M small molecule compound

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

Catalog ID
STK581583
SMILES CC(CCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccccc2)/C1=O)C

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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 C28H31N5O2S2 MW 533.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O2S2/c1-19(2)11-13-33-27(35)23(37-28(33)36)18-22-25(29-24-20(3)8-7-12-32(24)26(22)34)31-16-14-30(15-17-31)21-9-5-4-6-10-21/h4-10,12,18-19H,11,13-17H2,1-3H3/b23-18-
InChIKey
UFYVUGYEBMSXHX-NKFKGCMQSA-N
Synonyms
636991-10-1
(5Z)3(3METHYLBUTYL)5((9METHYL4OXO2(4PHENYLPIPERAZIN1YL)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3isopentyl5((9methyl4oxo2(4phenylpiperazin1yl)4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3(3METHYLBUTYL)5((9METHYL4OXO2(4PHENYLPIPERAZINYL)(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)2THIOXO13THIAZOLIDIN4ONE
636991101
9methyl3((Z)(3(3methylbutyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2(4phenylpiperazin1yl)4Hpyrido(12a)pyrimidin4one
CC(CCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccccc2)C1=O)C
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCC(C)C)N4CCN(CC4)C5=CC=CC=C5
InChI=1SC28H31N5O2S2c119(2)11133327(35)23(3728(33)36)182225(292420(3)871232(24)26(22)34)31161430(151731)2195461021h410121819H111317H213H3b2318
MFCD03662993
ZINC000100870214
ZINC100870214

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Available files

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