Vitas-M small molecule compound
methyl [1-(3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl]acetate
Catalog ID
STK590184
SMILES CCC(N1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)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 C24H27N5O5S2 MW 529.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N5O5S2/c1-5-14(3)29-23(33)17(36-24(29)35)10-15-20(26-18-7-6-13(2)12-28(18)22(15)32)27-9-8-25-21(31)16(27)11-19(30)34-4/h6-7,10,12,14,16H,5,8-9,11H2,1-4H3,(H,25,31)/b17-10-InChIKey
NVMTYVIAVPJXOL-YVLHZVERSA-NSynonyms
(Z)methyl2(1(3((3(secbutyl)4oxo2thioxothiazolidin5ylidene)methyl)7methyl4oxo4Hpyrido(12a)pyrimidin2yl)3oxopiperazin2yl)acetate
CCC(C)N1C(=O)C(=CC2=C(N=C3C=CC(=CN3C2=O)C)N4CCNC(=O)C4CC(=O)OC)SC1=S
CCC(N1C(=S)SC(=Cc2c(nc3n(c2=O)cc(cc3)C)N2CCNC(=O)C2CC(=O)OC)C1=O)C
InChI=1SC24H27N5O5S2c1514(3)2923(33)17(3624(29)35)101520(26187613(2)1228(18)22(15)32)27982521(31)16(27)1119(30)344h6710121416H58911H214H3(H2531)b1710
methyl(1(3((Z)(3(butan2yl)4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl4oxo4Hpyrido(12a)pyrimidin2yl)3oxopiperazin2yl)acetate
METHYL2(1(3((Z)(3BUTAN2YL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)3OXOPIPERAZIN2YL)ACETATE
METHYL2(1(7METHYL3((3(METHYLPROPYL)4OXO2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN2YL))3OXOPIPERAZIN2YL)ACETATE
MFCD03664668
ZINC000100871276
ZINC000245241732
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