Vitas-M small molecule compound

methyl [1-(3-{(Z)-[3-(furan-2-ylmethyl)-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
STK982832
SMILES COC(=O)CC1C(=O)NCCN1c1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccco1

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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 C24H21N5O6S2 MW 539.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N5O6S2/c1-34-19(30)12-16-21(31)25-7-9-27(16)20-15(22(32)28-8-3-2-6-18(28)26-20)11-17-23(33)29(24(36)37-17)13-14-5-4-10-35-14/h2-6,8,10-11,16H,7,9,12-13H2,1H3,(H,25,31)/b17-11-
InChIKey
ROAGXJGNZOOYTR-BOPFTXTBSA-N
Synonyms
1031296-60-2
(Z)methyl2(1(3((3(furan2ylmethyl)4oxo2thioxothiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)3oxopiperazin2yl)acetate
1031296602
COC(=O)CC1C(=O)NCCN1c1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)Cc1ccco1
COC(=O)CC1C(=O)NCCN1C2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)CC5=CC=CO5
InChI=1SC24H21N5O6S2c13419(30)121621(31)257927(16)2015(22(32)28832618(28)2620)111723(33)29(24(36)3717)131454103514h268101116H791213H21H3(H2531)b1711
methyl(1(3((Z)(3(furan2ylmethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)3oxopiperazin2yl)acetate
METHYL2(1(3((3(2FURYLMETHYL)4OXO2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN2YL))3OXOPIPERAZIN2YL)ACETATE
METHYL2(1(3((Z)(3(FURAN2YLMETHYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)4OXOPYRIDO(12A)PYRIMIDIN2YL)3OXOPIPERAZIN2YL)ACETATE
MFCD03290694
ZINC000100841578
ZINC000100841580

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Available files

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