Vitas-M small molecule compound
2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-3-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK548108
SMILES OCCN1CCN(CC1)c1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CC1CCCO1)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 C24H29N5O4S2 MW 515.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N5O4S2/c1-16-4-5-20-25-21(27-8-6-26(7-9-27)10-11-30)18(22(31)28(20)14-16)13-19-23(32)29(24(34)35-19)15-17-3-2-12-33-17/h4-5,13-14,17,30H,2-3,6-12,15H2,1H3/b19-13-InChIKey
HPAHTABYCQHACN-UYRXBGFRSA-NSynonyms
797764-62-6(5Z)5((2(4(2HYDROXYETHYL)PIPERAZIN1YL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4(2hydroxyethyl)piperazin1yl)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3((tetrahydrofuran2yl)methyl)2thioxothiazolidin4one
2(4(2hydroxyethyl)piperazin1yl)7methyl3((Z)(4oxo3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
5((2(4(2HYDROXYETHYL)PIPERAZINYL)7METHYL4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)3(OXOLAN2YLMETHYL)2THIOXO13THIAZOLIDIN4ONE
797764626
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC4CCCO4)N5CCN(CC5)CCO)C=C1
InChI=1SC24H29N5O4S2c11645202521(278626(7927)101130)18(22(31)28(20)1416)131923(32)29(24(34)3519)151732123317h4513141730H2361215H21H3b1913
MFCD03664318
OCCN1CCN(CC1)c1nc2ccc(cn2c(=O)c1C=C1SC(=S)N(C1=O)CC1CCCO1)C
ZINC000020134664
ZINC000020134668
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