Vitas-M small molecule compound
ethyl (2E)-2-(4-fluorobenzylidene)-7-methyl-5-(3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK876749
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccc(c1)[N+](=O)[O-])c(=O)/c(=C\c1ccc(cc1)F)/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 C23H18FN3O5S MW 467.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18FN3O5S/c1-3-32-22(29)19-13(2)25-23-26(20(19)15-5-4-6-17(12-15)27(30)31)21(28)18(33-23)11-14-7-9-16(24)10-8-14/h4-12,20H,3H2,1-2H3/b18-11+InChIKey
NYLQCVCFUUDYMY-WOJGMQOQSA-NSynonyms
300722-83-2(E)ethyl2(4fluorobenzylidene)7methyl5(3nitrophenyl)3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
300722832
CCOC(=O)C1=C(C)N=c2n(C1c1cccc(c1)(N+)(=O)(O))c(=O)c(=Cc1ccc(cc1)F)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=CC=C3)(N+)(=O)(O))C(=O)C(=CC4=CC=C(C=C4)F)S2)C
ETHYL(2E)2((4FLUOROPHENYL)METHYLIDENE)7METHYL5(3NITROPHENYL)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)2(4fluorobenzylidene)7methyl5(3nitrophenyl)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC23H18FN3O5Sc133222(29)1913(2)252326(20(19)1554617(1215)27(30)31)21(28)18(3323)11147916(24)10814h41220H3H212H3b1811+
MFCD01947597
ZINC000009327379
ZINC000009327380
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