Vitas-M small molecule compound
propan-2-yl (2E)-5-(3-methoxyphenyl)-7-methyl-2-[(5-nitrofuran-2-yl)methylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL375781
SMILES COc1cccc(c1)C1C(=C(C)N=c2n1c(=O)/c(=C\c1ccc(o1)[N+](=O)[O-])/s2)C(=O)OC(C)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 C23H21N3O7S MW 483.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O7S/c1-12(2)32-22(28)19-13(3)24-23-25(20(19)14-6-5-7-15(10-14)31-4)21(27)17(34-23)11-16-8-9-18(33-16)26(29)30/h5-12,20H,1-4H3/b17-11+InChIKey
PLXAIFMGJMTWTC-GZTJUZNOSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC=C(O3)(N+)(=O)(O))SC2=N1)C4=CC(=CC=C4)OC)C(=O)OC(C)C
COc1cccc(c1)C1C(=C(C)N=c2n1c(=O)c(=Cc1ccc(o1)(N+)(=O)(O))s2)C(=O)OC(C)C
InChI=1SC23H21N3O7Sc112(2)3222(28)1913(3)242325(20(19)1465715(1014)314)21(27)17(3423)11168918(3316)26(29)30h51220H14H3b1711+
MFCD03699138
propan2yl(2E)5(3methoxyphenyl)7methyl2((5nitrofuran2yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
propan2yl(2E)5(3methoxyphenyl)7methyl2((5nitrofuran2yl)methylidene)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000022740640
ZINC000022740643
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