Vitas-M small molecule compound
3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-[(tetrahydrofuran-2-ylmethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK799323
SMILES CCC(N1C(=S)S/C(=C\c2c(NCC3CCCO3)nc3n(c2=O)cccc3C)/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 C22H26N4O3S2 MW 458.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O3S2/c1-4-14(3)26-21(28)17(31-22(26)30)11-16-18(23-12-15-8-6-10-29-15)24-19-13(2)7-5-9-25(19)20(16)27/h5,7,9,11,14-15,23H,4,6,8,10,12H2,1-3H3/b17-11-InChIKey
XHEGALNPEGEXHT-BOPFTXTBSA-NSynonyms
(5Z)3BUTAN2YL5((9METHYL4OXO2(OXOLAN2YLMETHYLAMINO)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3(butan2yl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl2((tetrahydrofuran2ylmethyl)amino)4Hpyrido(12a)pyrimidin4one
CCC(C)N1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)NCC4CCCO4)SC1=S
CCC(N1C(=S)SC(=Cc2c(NCC3CCCO3)nc3n(c2=O)cccc3C)C1=O)C
InChI=1SC22H26N4O3S2c1414(3)2621(28)17(3122(26)30)111618(23121586102915)241913(2)75925(19)20(16)27h57911141523H4681012H213H3b1711
MFCD03462378
ZINC000016700876
ZINC000016700883
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