Vitas-M small molecule compound
ethyl (2Z)-7-methyl-2-[5-nitro-2-(piperidin-1-yl)benzylidene]-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL506636
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C/c1cc(ccc1N1CCCCC1)[N+](=O)[O-])/s2
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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 C28H28N4O5S MW 532.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O5S/c1-3-37-27(34)24-18(2)29-28-31(25(24)19-10-6-4-7-11-19)26(33)23(38-28)17-20-16-21(32(35)36)12-13-22(20)30-14-8-5-9-15-30/h4,6-7,10-13,16-17,25H,3,5,8-9,14-15H2,1-2H3/b23-17-InChIKey
YJNYIEIHYKMXKB-QJOMJCCJSA-NSynonyms
6115605
ethyl(2~(Z))7methyl2((5nitro2piperidin1ylphenyl)methylidene)3oxo5phenyl5~(H)(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)7METHYL2((5NITRO2PIPERIDIN1YLPHENYL)METHYLIDENE)3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)7methyl2(5nitro2(piperidin1yl)benzylidene)3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC28H28N4O5Sc133727(34)2418(2)292831(25(24)19106471119)26(33)23(3828)17201621(32(35)36)121322(20)30148591530h4671013161725H35891415H212H3b2317
MFCD31614371
ZINC000002797362
ZINC000002797364
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