Vitas-M small molecule compound
2-(4-bromophenoxy)-3-{(Z)-[3-(1,1-dioxidotetrahydrothiophen-3-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK905082
SMILES Brc1ccc(cc1)Oc1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C1CCS(=O)(=O)C1
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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 C22H16BrN3O5S3 MW 578.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16BrN3O5S3/c23-13-4-6-15(7-5-13)31-19-16(20(27)25-9-2-1-3-18(25)24-19)11-17-21(28)26(22(32)33-17)14-8-10-34(29,30)12-14/h1-7,9,11,14H,8,10,12H2/b17-11-InChIKey
ZUMAWSXUMIEUCD-BOPFTXTBSA-NSynonyms
(5Z)5((2(4bromophenoxy)4oxopyrido(12a)pyrimidin3yl)methylidene)3(11dioxothiolan3yl)2sulfanylidene13thiazolidin4one
2(4bromophenoxy)3((Z)(3(11dioxidotetrahydrothiophen3yl)4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
Brc1ccc(cc1)Oc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)C1CCS(=O)(=O)C1
C1CS(=O)(=O)CC1N2C(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)OC5=CC=C(C=C5)Br)SC2=S
InChI=1SC22H16BrN3O5S3c23134615(7513)311916(20(27)25921318(25)2419)111721(28)26(22(32)3317)1481034(2930)1214h1791114H81012H2b1711
MFCD18076238
ZINC000097968900
ZINC000097968901
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