Vitas-M small molecule compound
7-methyl-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK799349
SMILES C=CCN1C(=S)S/C(=C\c2c(NC3CC(C)(C)NC(C3)(C)C)nc3n(c2=O)cc(cc3)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 C25H31N5O2S2 MW 497.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N5O2S2/c1-7-10-29-22(32)18(34-23(29)33)11-17-20(26-16-12-24(3,4)28-25(5,6)13-16)27-19-9-8-15(2)14-30(19)21(17)31/h7-9,11,14,16,26,28H,1,10,12-13H2,2-6H3/b18-11-InChIKey
NNAVFAOTMSYOCQ-WQRHYEAKSA-NSynonyms
(5Z)5((7methyl4oxo2((2266tetramethylpiperidin4yl)amino)pyrido(12a)pyrimidin3yl)methylidene)3prop2enyl2sulfanylidene13thiazolidin4one
7methyl3((Z)(4oxo3(prop2en1yl)2thioxo13thiazolidin5ylidene)methyl)2((2266tetramethylpiperidin4yl)amino)4Hpyrido(12a)pyrimidin4one
C=CCN1C(=S)SC(=Cc2c(NC3CC(C)(C)NC(C3)(C)C)nc3n(c2=O)cc(cc3)C)C1=O
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC=C)NC4CC(NC(C4)(C)C)(C)C)C=C1
InChI=1SC25H31N5O2S2c17102922(32)18(3423(29)33)111720(26161224(34)2825(56)1316)27199815(2)1430(19)21(17)31h791114162628H1101213H226H3b1811
MFCD03462394
ZINC000012614455
ZINC12614455
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