Vitas-M small molecule compound
3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(morpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK811890
SMILES CCC(N1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCOCC2)/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 C20H22N4O3S2 MW 430.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O3S2/c1-3-13(2)24-19(26)15(29-20(24)28)12-14-17(22-8-10-27-11-9-22)21-16-6-4-5-7-23(16)18(14)25/h4-7,12-13H,3,8-11H2,1-2H3/b15-12-InChIKey
WTQGREHVJMSSIK-QINSGFPZSA-NSynonyms
(5Z)3BUTAN2YL5((2MORPHOLIN4YL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3(butan2yl)4oxo2thioxo13thiazolidin5ylidene)methyl)2(morpholin4yl)4Hpyrido(12a)pyrimidin4one
CCC(C)N1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCOCC4)SC1=S
CCC(N1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCOCC2)C1=O)C
InChI=1SC20H22N4O3S2c1313(2)2419(26)15(2920(24)28)121417(228102711922)2116645723(16)18(14)25h471213H3811H212H3b1512
MFCD03933166
ZINC000016713848
ZINC000016713850
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