Vitas-M small molecule compound
4-[(5Z)-5-({2-[4-(3-chlorophenyl)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]butanoic acid
Catalog ID
STK705811
SMILES OC(=O)CCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)c2cccc(c2)Cl)/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 C27H26ClN5O4S2 MW 584.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN5O4S2/c1-17-7-8-22-29-24(31-12-10-30(11-13-31)19-5-2-4-18(28)14-19)20(25(36)33(22)16-17)15-21-26(37)32(27(38)39-21)9-3-6-23(34)35/h2,4-5,7-8,14-16H,3,6,9-13H2,1H3,(H,34,35)/b21-15-InChIKey
ZSJRBRLIBAEOPX-QNGOZBTKSA-NSynonyms
4((5Z)5((2(4(3chlorophenyl)piperazin1yl)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
4((5Z)5((2(4(3chlorophenyl)piperazin1yl)7methyl4oxopyrido(12a)pyrimidin3yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)butanoicacid
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCCC(=O)O)N4CCN(CC4)C5=CC(=CC=C5)Cl)C=C1
InChI=1SC27H26ClN5O4S2c11778222924(31121030(111331)1952418(28)1419)20(25(36)33(22)1617)152126(37)32(27(38)3921)93623(34)35h245781416H36913H21H3(H3435)b2115
MFCD06642785
OC(=O)CCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)c2cccc(c2)Cl)C1=O
ZINC000100762328
ZINC100762328
Check stock
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Check stock on Vitas-MAvailable files
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