Vitas-M small molecule compound
methyl [1-(3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl]acetate
Catalog ID
STK982847
SMILES CCC(N1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCNC(=O)C2CC(=O)OC)/C1=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 C23H25N5O5S2 MW 515.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O5S2/c1-4-13(2)28-22(32)16(35-23(28)34)11-14-19(25-17-7-5-6-9-27(17)21(14)31)26-10-8-24-20(30)15(26)12-18(29)33-3/h5-7,9,11,13,15H,4,8,10,12H2,1-3H3,(H,24,30)/b16-11-InChIKey
VDWQIWDCFBPANK-WJDWOHSUSA-NSynonyms
1031325-78-6(Z)methyl2(1(3((3(secbutyl)4oxo2thioxothiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)3oxopiperazin2yl)acetate
1031325786
CCC(C)N1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCNC(=O)C4CC(=O)OC)SC1=S
CCC(N1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCNC(=O)C2CC(=O)OC)C1=O)C
InChI=1SC23H25N5O5S2c1413(2)2822(32)16(3523(28)34)111419(2517756927(17)21(14)31)261082420(30)15(26)1218(29)333h579111315H481012H213H3(H2430)b1611
methyl(1(3((Z)(3(butan2yl)4oxo2thioxo13thiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)3oxopiperazin2yl)acetate
METHYL2(1(3((3(METHYLPROPYL)4OXO2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN2YL))3OXOPIPERAZIN2YL)ACETATE
METHYL2(1(3((Z)(3BUTAN2YL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)4OXOPYRIDO(12A)PYRIMIDIN2YL)3OXOPIPERAZIN2YL)ACETATE
MFCD03297612
ZINC000002280304
ZINC000245241969
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