Vitas-M small molecule compound
3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-7-methyl-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STL336730
SMILES COc1ccc(cc1)CCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)C)/C1=O
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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/c1-18-4-9-23-28-24(30-14-12-29(2)13-15-30)21(25(33)32(23)17-18)16-22-26(34)31(27(36)37-22)11-10-19-5-7-20(35-3)8-6-19/h4-9,16-17H,10-15H2,1-3H3/b22-16-InChIKey
JXKIIZBPIMTYAJ-JWGURIENSA-NSynonyms
797799-37-2(5Z)3(2(4METHOXYPHENYL)ETHYL)5((7METHYL2(4METHYLPIPERAZIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(4methoxyphenethyl)5((7methyl2(4methylpiperazin1yl)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3(2(4methoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl2(4methylpiperazin1yl)4Hpyrido(12a)pyrimidin4one
3(2(4METHOXYPHENYL)ETHYL)5((7METHYL2(4METHYLPIPERAZINYL)4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)2THIOXO13THIAZOLIDIN4ONE
797799372
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCC4=CC=C(C=C4)OC)N5CCN(CC5)C)C=C1
COc1ccc(cc1)CCN1C(=S)SC(=Cc2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)C)C1=O
InChI=1SC27H29N5O3S2c11849232824(30141229(2)131530)21(25(33)32(23)1718)162226(34)31(27(36)3722)1110195720(353)8619h491617H1015H213H3b2216
MFCD03668585
ZINC000100930942
ZINC100930942
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