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ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK698441
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)/c(=C/c1cccc(c1)[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 C24H19N3O7S MW 493.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N3O7S/c1-3-32-23(29)20-13(2)25-24-26(21(20)15-7-8-17-18(11-15)34-12-33-17)22(28)19(35-24)10-14-5-4-6-16(9-14)27(30)31/h4-11,21H,3,12H2,1-2H3/b19-10-
InChIKey
LMIHGGJSPGROPX-GRSHGNNSSA-N
Synonyms

(E)ethyl5(benzo(d)(13)dioxol5yl)7methyl2(3nitrobenzylidene)3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)c(=Cc1cccc(c1)(N+)(=O)(O))s2
CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)C(=CC5=CC(=CC=C5)(N+)(=O)(O))S2)C
ETHYL(2Z)5(13BENZODIOXOL5YL)7METHYL2((3NITROPHENYL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)5(13BENZODIOXOL5YL)7METHYL2(3NITROBENZYLIDENE)3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL5(2HBENZO(34D)13DIOXOLEN5YL)7METHYL2((3NITROPHENYL)METHYLENE)3OXO45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC24H19N3O7Sc133223(29)2013(2)252426(21(20)15781718(1115)34123317)22(28)19(3524)101454616(914)27(30)31h41121H312H212H3b1910
MFCD01061704
ZINC000002298190
ZINC000002298192

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Available files

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