Vitas-M small molecule compound
2-(4-benzylpiperazin-1-yl)-3-[(Z)-(3-cyclopentyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK543903
SMILES S=C1S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)Cc2ccccc2)/C(=O)N1C1CCCC1
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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 C29H31N5O2S2 MW 545.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O2S2/c1-20-8-7-13-33-25(20)30-26(32-16-14-31(15-17-32)19-21-9-3-2-4-10-21)23(27(33)35)18-24-28(36)34(29(37)38-24)22-11-5-6-12-22/h2-4,7-10,13,18,22H,5-6,11-12,14-17,19H2,1H3/b24-18-InChIKey
OSXDOBCZNXAIDE-MOHJPFBDSA-NSynonyms
488717-81-3(5Z)5((2(4BENZYLPIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3CYCLOPENTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4benzylpiperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3cyclopentyl2thioxothiazolidin4one
2(4benzylpiperazin1yl)3((Z)(3cyclopentyl4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl4Hpyrido(12a)pyrimidin4one
3CYCLOPENTYL5((9METHYL4OXO2(4BENZYLPIPERAZINYL)(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)2THIOXO13THIAZOLIDIN4ONE
488717813
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)C4CCCC4)N5CCN(CC5)CC6=CC=CC=C6
InChI=1SC29H31N5O2S2c12087133325(20)3026(32161431(151732)192193241021)23(27(33)35)182428(36)34(29(37)3824)2211561222h24710131822H561112141719H21H3b2418
MFCD03291158
S=C1SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCN(CC2)Cc2ccccc2)C(=O)N1C1CCCC1
ZINC000100843107
ZINC100843107
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