Vitas-M small molecule compound
6-[(5Z)-5-{[2-(2,6-dimethylmorpholin-4-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
Catalog ID
STK514930
SMILES OC(=O)CCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CC(C)OC(C2)C)/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 C25H30N4O5S2 MW 530.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O5S2/c1-15-8-7-11-28-21(15)26-22(27-13-16(2)34-17(3)14-27)18(23(28)32)12-19-24(33)29(25(35)36-19)10-6-4-5-9-20(30)31/h7-8,11-12,16-17H,4-6,9-10,13-14H2,1-3H3,(H,30,31)/b19-12-InChIKey
ZPZQEPFREMUJIB-UNOMPAQXSA-NSynonyms
6((5Z)5((2(26dimethylmorpholin4yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)hexanoicacid
6((5Z)5((2(26dimethylmorpholin4yl)9methyl4oxopyrido(12a)pyrimidin3yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)hexanoicacid
CC1CN(CC(O1)C)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=C4C(=O)N(C(=S)S4)CCCCCC(=O)O
InChI=1SC25H30N4O5S2c11587112821(15)2622(271316(2)3417(3)1427)18(23(28)32)121924(33)29(25(35)3619)10645920(30)31h7811121617H469101314H213H3(H3031)b1912
MFCD03496085
OC(=O)CCCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CC(C)OC(C2)C)C1=O
ZINC000100761514
ZINC000100761525
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