Vitas-M small molecule compound
benzyl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK705300
SMILES CCC1SC2=NC(=C(C(N2C1=O)c1cccc(c1)[N+](=O)[O-])C(=O)OCc1ccccc1)C
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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 C23H21N3O5S MW 451.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O5S/c1-3-18-21(27)25-20(16-10-7-11-17(12-16)26(29)30)19(14(2)24-23(25)32-18)22(28)31-13-15-8-5-4-6-9-15/h4-12,18,20H,3,13H2,1-2H3InChIKey
TYDKFVHFFZOWOT-UHFFFAOYSA-NSynonyms
620554-66-7620554667
benzyl2ethyl7methyl5(3nitrophenyl)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
BENZYL2ETHYL7METHYL5(3NITROPHENYL)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
CCC1C(=O)N2C(C(=C(N=C2S1)C)C(=O)OCC3=CC=CC=C3)C4=CC(=CC=C4)(N+)(=O)(O)
CCC1SC2=NC(=C(C(N2C1=O)c1cccc(c1)(N+)(=O)(O))C(=O)OCc1ccccc1)C
InChI=1SC23H21N3O5Sc131821(27)2520(161071117(1216)26(29)30)19(14(2)2423(25)3218)22(28)3113158546915h4121820H313H212H3
MFCD04446771
ZINC000002702712
ZINC000002702717
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