Vitas-M small molecule compound
3-[(5Z)-5-({2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
Catalog ID
STK883161
SMILES COc1ccc(cc1)N1CCN(CC1)c1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCC(=O)O)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 C27H27N5O5S2 MW 565.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O5S2/c1-17-3-8-22-28-24(30-13-11-29(12-14-30)18-4-6-19(37-2)7-5-18)20(25(35)32(22)16-17)15-21-26(36)31(27(38)39-21)10-9-23(33)34/h3-8,15-16H,9-14H2,1-2H3,(H,33,34)/b21-15-InChIKey
MSWYDYIREHPTPJ-QNGOZBTKSA-NSynonyms
3((5Z)5((2(4(4methoxyphenyl)piperazin1yl)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
3((5Z)5((2(4(4methoxyphenyl)piperazin1yl)7methyl4oxopyrido(12a)pyrimidin3yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)propanoicacid
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCC(=O)O)N4CCN(CC4)C5=CC=C(C=C5)OC)C=C1
COc1ccc(cc1)N1CCN(CC1)c1nc2ccc(cn2c(=O)c1C=C1SC(=S)N(C1=O)CCC(=O)O)C
InChI=1SC27H27N5O5S2c11738222824(30131129(121430)184619(372)7518)20(25(35)32(22)1617)152126(36)31(27(38)3921)10923(33)34h381516H914H212H3(H3334)b2115
MFCD06646690
ZINC000100762496
ZINC100762496
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.