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Vitas-M small molecule compound

ethyl [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
STK982890
SMILES CCOC(=O)CC1C(=O)NCCN1c1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C(CC)C)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 C25H29N5O5S2 MW 543.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5O5S2/c1-5-15(4)30-24(34)18(37-25(30)36)11-16-21(27-19-8-7-14(3)13-29(19)23(16)33)28-10-9-26-22(32)17(28)12-20(31)35-6-2/h7-8,11,13,15,17H,5-6,9-10,12H2,1-4H3,(H,26,32)/b18-11-
InChIKey
QPSIAEPAQYOOPE-WQRHYEAKSA-N
Synonyms
1031208-71-5
(1(3(3SECBUTYL4OXO2THIOXOTHIAZOLIDIN(5Z)YLIDENEMETHYL)7METHYL4OXO4HPYRIDO(12A)PYRIMIDIN2YL)3OXOPIPERAZIN2YL)ACETICACIDETHYLESTER
(Z)ethyl2(1(3((3(secbutyl)4oxo2thioxothiazolidin5ylidene)methyl)7methyl4oxo4Hpyrido(12a)pyrimidin2yl)3oxopiperazin2yl)acetate
1031208715
2(1(3((Z)(3BUTAN2YL4OXO2SULFANYLIDENE5THIAZOLIDINYLIDENE)METHYL)7METHYL4OXO2PYRIDO(12A)PYRIMIDINYL)3OXO2PIPERAZINYL)ACETICACIDETHYLESTER
2(3KETO1(4KETO3((Z)(4KETO3SECBUTYL2THIOXOTHIAZOLIDIN5YLIDENE)METHYL)7METHYLPYRIDO(12A)PYRIMIDIN2YL)PIPERAZIN2YL)ACETICACIDETHYLESTER
CCC(C)N1C(=O)C(=CC2=C(N=C3C=CC(=CN3C2=O)C)N4CCNC(=O)C4CC(=O)OCC)SC1=S
CCOC(=O)CC1C(=O)NCCN1c1nc2ccc(cn2c(=O)c1C=C1SC(=S)N(C1=O)C(CC)C)C
ethyl(1(3((Z)(3(butan2yl)4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl4oxo4Hpyrido(12a)pyrimidin2yl)3oxopiperazin2yl)acetate
ETHYL2(1(3((Z)(3BUTAN2YL4OXIDANYLIDENE2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)7METHYL4OXIDANYLIDENEPYRIDO(12A)PYRIMIDIN2YL)3OXIDANYLIDENEPIPERAZIN2YL)ETHANOATE
ETHYL2(1(3((Z)(3BUTAN2YL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)3OXOPIPERAZIN2YL)ACETATE
ETHYL2(1(7METHYL3((3(METHYLPROPYL)4OXO2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN2YL))3OXOPIPERAZIN2YL)ACETATE
InChI=1SC25H29N5O5S2c1515(4)3024(34)18(3725(30)36)111621(27198714(3)1329(19)23(16)33)281092622(32)17(28)1220(31)3562h7811131517H5691012H214H3(H2632)b1811
MFCD03300402
ZINC000017596044
ZINC000108548774

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Available files

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