Vitas-M small molecule compound
ethyl (2E)-7-(4-hydroxy-3-methoxyphenyl)-5-methyl-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK764019
SMILES CCOC(=O)C1=C(C)n2c(=NC1c1ccc(c(c1)OC)O)s/c(=C/c1cccc(c1)[N+](=O)[O-])/c2=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 C24H21N3O7S MW 495.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O7S/c1-4-34-23(30)20-13(2)26-22(29)19(11-14-6-5-7-16(10-14)27(31)32)35-24(26)25-21(20)15-8-9-17(28)18(12-15)33-3/h5-12,21,28H,4H2,1-3H3/b19-11+InChIKey
SJHZSFLBEFCELY-YBFXNURJSA-NSynonyms
CCOC(=O)C1=C(C)n2c(=NC1c1ccc(c(c1)OC)O)sc(=Cc1cccc(c1)(N+)(=O)(O))c2=O
CCOC(=O)C1=C(N2C(=O)C(=CC3=CC(=CC=C3)(N+)(=O)(O))SC2=NC1C4=CC(=C(C=C4)O)OC)C
ETHYL(2E)7(4HYDROXY3METHOXYPHENYL)5METHYL2((3NITROPHENYL)METHYLIDENE)3OXO7H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)7(4hydroxy3methoxyphenyl)5methyl2(3nitrobenzylidene)3oxo23dihydro7H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL7(4HYDROXY3METHOXYPHENYL)5METHYL2((3NITROPHENYL)METHYLENE)3OXO47DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC24H21N3O7Sc143423(30)2013(2)2622(29)19(111465716(1014)27(31)32)3524(26)2521(20)158917(28)18(1215)333h5122128H4H213H3b1911+
MFCD02648153
ZINC000008856841
ZINC000008856842
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.