Vitas-M small molecule compound
2-(cyclopentylamino)-3-[(Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK823887
SMILES COc1cc(CCN2C(=S)S/C(=C\c3c(NC4CCCC4)nc4n(c3=O)cc(cc4)C)/C2=O)ccc1OC
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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 C28H30N4O4S2 MW 550.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O4S2/c1-17-8-11-24-30-25(29-19-6-4-5-7-19)20(26(33)32(24)16-17)15-23-27(34)31(28(37)38-23)13-12-18-9-10-21(35-2)22(14-18)36-3/h8-11,14-16,19,29H,4-7,12-13H2,1-3H3/b23-15-InChIKey
WXVJIGQXHCPLEA-HAHDFKILSA-NSynonyms
(5Z)5((2(cyclopentylamino)7methyl4oxopyrido(12a)pyrimidin3yl)methylidene)3(2(34dimethoxyphenyl)ethyl)2sulfanylidene13thiazolidin4one
2(cyclopentylamino)3((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl4Hpyrido(12a)pyrimidin4one
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCC4=CC(=C(C=C4)OC)OC)NC5CCCC5)C=C1
COc1cc(CCN2C(=S)SC(=Cc3c(NC4CCCC4)nc4n(c3=O)cc(cc4)C)C2=O)ccc1OC
InChI=1SC28H30N4O4S2c117811243025(2919645719)20(26(33)32(24)1617)152327(34)31(28(37)3823)13121891021(352)22(1418)363h81114161929H471213H213H3b2315
MFCD18075754
ZINC000097947217
ZINC97947217
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