Vitas-M small molecule compound
ethyl (2E)-2-(3-ethoxy-2-hydroxy-5-nitrobenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL407022
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1cc(cc(c1O)OCC)[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 C25H23N3O7S MW 509.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O7S/c1-4-34-18-13-17(28(32)33)11-16(22(18)29)12-19-23(30)27-21(15-9-7-6-8-10-15)20(24(31)35-5-2)14(3)26-25(27)36-19/h6-13,21,29H,4-5H2,1-3H3/b19-12+InChIKey
PTIGNNFULGUZCN-XDHOZWIPSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1cc(cc(c1O)OCC)(N+)(=O)(O))s2
CCOC1=C(C(=CC(=C1)(N+)(=O)(O))C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=CC=C4)O
ETHYL(2E)2((3ETHOXY2HYDROXY5NITROPHENYL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)2(3ethoxy2hydroxy5nitrobenzylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC25H23N3O7Sc1434181317(28(32)33)1116(22(18)29)121923(30)2721(1597681015)20(24(31)3552)14(3)2625(27)3619h6132129H45H213H3b1912+
MFCD04083830
ZINC000034868407
ZINC000034868409
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