Vitas-M small molecule compound
3-[(5Z)-5-({2-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
Catalog ID
STK810974
SMILES OC(=O)CCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)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 C25H22ClN5O4S2 MW 556.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN5O4S2/c26-16-4-3-5-17(14-16)28-10-12-29(13-11-28)22-18(23(34)30-8-2-1-6-20(30)27-22)15-19-24(35)31(25(36)37-19)9-7-21(32)33/h1-6,8,14-15H,7,9-13H2,(H,32,33)/b19-15-InChIKey
RIFBYDAOUGUMJJ-CYVLTUHYSA-NSynonyms
3((5Z)5((2(4(3chlorophenyl)piperazin1yl)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
3((5Z)5((2(4(3CHLOROPHENYL)PIPERAZIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=O)N4C=CC=CC4=N3)C=C5C(=O)N(C(=S)S5)CCC(=O)O
InChI=1SC25H22ClN5O4S2c261643517(1416)28101229(131128)2218(23(34)30821620(30)2722)151924(35)31(25(36)3719)9721(32)33h1681415H7913H2(H3233)b1915
MFCD03933068
OC(=O)CCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCN(CC2)c2cccc(c2)Cl)C1=O
ZINC000029747433
ZINC29747433
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