Vitas-M small molecule compound
2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-3-{(Z)-[4-oxo-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK794060
SMILES OCCN1CCN(CC1)c1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C(c1ccccc1)C)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 C27H29N5O3S2 MW 535.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O3S2/c1-18-8-9-23-28-24(30-12-10-29(11-13-30)14-15-33)21(25(34)31(23)17-18)16-22-26(35)32(27(36)37-22)19(2)20-6-4-3-5-7-20/h3-9,16-17,19,33H,10-15H2,1-2H3/b22-16-InChIKey
KOIQUHIEEPCOIS-JWGURIENSA-NSynonyms
497231-93-3(5Z)5((2(4(2HYDROXYETHYL)PIPERAZIN1YL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(1PHENYLETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4(2hydroxyethyl)piperazin1yl)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3(1phenylethyl)2thioxothiazolidin4one
2(4(2hydroxyethyl)piperazin1yl)7methyl3((Z)(4oxo3(1phenylethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
497231933
5((2(4(2HYDROXYETHYL)PIPERAZINYL)7METHYL4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)3(PHENYLETHYL)2THIOXO13THIAZOLIDIN4ONE
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)C(C)C4=CC=CC=C4)N5CCN(CC5)CCO)C=C1
InChI=1SC27H29N5O3S2c11889232824(30121029(111330)141533)21(25(34)31(23)1718)162226(35)32(27(36)3722)19(2)206435720h3916171933H1015H212H3b2216
MFCD03300740
OCCN1CCN(CC1)c1nc2ccc(cn2c(=O)c1C=C1SC(=S)N(C1=O)C(c1ccccc1)C)C
ZINC000001481352
ZINC000001481354
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