Vitas-M small molecule compound
2-(4-bromophenoxy)-3-{(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK905081
SMILES COCCN1C(=S)S/C(=C\c2c(Oc3ccc(cc3)Br)nc3n(c2=O)cccc3)/C1=O
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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 C21H16BrN3O4S2 MW 518.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrN3O4S2/c1-28-11-10-25-20(27)16(31-21(25)30)12-15-18(29-14-7-5-13(22)6-8-14)23-17-4-2-3-9-24(17)19(15)26/h2-9,12H,10-11H2,1H3/b16-12-InChIKey
SOBGKUSMLSWKGC-VBKFSLOCSA-NSynonyms
(5Z)5((2(4bromophenoxy)4oxopyrido(12a)pyrimidin3yl)methylidene)3(2methoxyethyl)2sulfanylidene13thiazolidin4one
2(4bromophenoxy)3((Z)(3(2methoxyethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
COCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)OC4=CC=C(C=C4)Br)SC1=S
COCCN1C(=S)SC(=Cc2c(Oc3ccc(cc3)Br)nc3n(c2=O)cccc3)C1=O
InChI=1SC21H16BrN3O4S2c12811102520(27)16(3121(25)30)121518(29147513(22)6814)2317423924(17)19(15)26h2912H1011H21H3b1612
MFCD18076237
ZINC000097947385
ZINC97947385
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