Vitas-M small molecule compound

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

Catalog ID
STK794066
SMILES CC(CN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)Cc2ccccc2)/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)17-33-27(35)23(37-28(33)36)16-22-25(29-24-20(3)8-7-11-32(24)26(22)34)31-14-12-30(13-15-31)18-21-9-5-4-6-10-21/h4-11,16,19H,12-15,17-18H2,1-3H3/b23-16-
InChIKey
YVBZPFQCXUDVHQ-KQWNVCNZSA-N
Synonyms
488795-49-9
(5Z)5((2(4BENZYLPIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(2METHYLPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4benzylpiperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3isobutyl2thioxothiazolidin4one
2(4benzylpiperazin1yl)9methyl3((Z)(3(2methylpropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
488795499
CC(CN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCN(CC2)Cc2ccccc2)C1=O)C
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC(C)C)N4CCN(CC4)CC5=CC=CC=C5
InChI=1SC28H31N5O2S2c119(2)173327(35)23(3728(33)36)162225(292420(3)871132(24)26(22)34)31141230(131531)182195461021h4111619H12151718H213H3b2316
MFCD03292774
ZINC000100839346
ZINC100839346

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Available files

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