Vitas-M small molecule compound
methyl (1-{7-methyl-3-[(Z)-(3-methyl-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
STK584747
SMILES COC(=O)CC1C(=O)NCCN1c1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)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 C21H21N5O5S2 MW 487.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O5S2/c1-11-4-5-15-23-17(25-7-6-22-18(28)13(25)9-16(27)31-3)12(19(29)26(15)10-11)8-14-20(30)24(2)21(32)33-14/h4-5,8,10,13H,6-7,9H2,1-3H3,(H,22,28)/b14-8-InChIKey
XYUCPRJLSIVIBR-ZSOIEALJSA-NSynonyms
(Z)methyl2(1(7methyl3((3methyl4oxo2thioxothiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)3oxopiperazin2yl)acetate
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)C)N4CCNC(=O)C4CC(=O)OC)C=C1
COC(=O)CC1C(=O)NCCN1c1nc2ccc(cn2c(=O)c1C=C1SC(=S)N(C1=O)C)C
InChI=1SC21H21N5O5S2c11145152317(25762218(28)13(25)916(27)313)12(19(29)26(15)1011)81420(30)24(2)21(32)3314h4581013H679H213H3(H2228)b148
methyl(1(7methyl3((Z)(3methyl4oxo2thioxo13thiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)3oxopiperazin2yl)acetate
METHYL2(1(7METHYL3((Z)(3METHYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)4OXOPYRIDO(12A)PYRIMIDIN2YL)3OXOPIPERAZIN2YL)ACETATE
MFCD03663220
ZINC000002365660
ZINC000009360691
Check stock
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Check stock on Vitas-MAvailable files
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